A0A096NPI1_PAPAN Loading...

SH3 domain binding glutamate rich protein like 2

AlphaFold DB (A0A7N9CEE1), UniProt , Accession A0A096NPI1, Species PAPAN (Papio anubis, Olive baboon), Gene SH3BGRL2, Length 122 aa.

						>A0A096NPI1_PAPAN|A0A096NPI1|SH3BGRL2
MEASDSTKCFEFCFMSHWENVICIKQGISVIKKKQQDVVRFLEANKIEFEEVDITMSEEQRQWMYKNVPPEKKPTQGNPLPPQIFNGDRYCGDYDSFFESKESNTVFSFLGLKPRLASKAEP
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.4	Very low	31.7	Very low	242 Å²	242	138.9 Å²	138.9	100%	1.192	76%	0.755	S	S	*	*				0	98.2	0	-67.3	156.9	-165.7	0	0	103.6
2	E	40.2	Very low	31.2	Very low	194 Å²	194	142.8 Å²	142.8	91%	0.907	76%	0.759	S	S	*	*			cis	-127	123.5	47.1	-67.2	179.2	80.2	0	0	110.5
3	A	29.1	Very low	31	Very low	92 Å²	92	136.4 Å²	136.4	76%	0.76	73%	0.732	S	S	*	*				72.1	85.3	91.3	0	0	0	0	0	113.6
4	S	33.7	Very low	30.9	Very low	110 Å²	110	134 Å²	134	77%	0.769	71%	0.712	S	S	*	*			trans	59.2	88.3	147.4	-55.8	0	0	0	0	118.3	S6	S4-S6 PolarHBondContact O-N 2.74Å
5	D	36.6	Very low	31	Very low	137 Å²	137	134.7 Å²	134.7	73%	0.733	71%	0.712	S	S	*	*			trans	-63.4	47.2	150	-160.7	-110.3	0	0	0	110.7	T7 K8	D5-T7 PolarHBondContact O-N 2.91Å; D5-K8 IonicContact OD1-NZ 3.91Å
6	S	27.9	Very low	31	Very low	95 Å²	95	132.6 Å²	132.6	66%	0.664	71%	0.712	S	S	*	*			trans	-76.1	119.7	173.3	-166.3	0	0	0	0	105.8	S4	S4-S6 PolarHBondContact O-N 2.74Å
7	T	32.1	Very low	31.1	Very low	92 Å²	92	133.4 Å²	133.4	56%	0.564	71%	0.71	S	S	*	*			trans	100.1	57.3	158.7	-30.2	0	0	0	0	115	D5 C9	D5-T7 PolarHBondContact O-N 2.91Å; T7-C9 VanDerWaalsContact CA-SG 3.56Å; T7-C9 HydrophobicContact CG2-CB 3.21Å; T7-C9 WeakPolarHBondContact CG2-SG 3.48Å; T7-C9 PolarHBondContact O-N 2.78Å
8	K	30.6	Very low	31.5	Very low	161 Å²	161	130.9 Å²	130.9	70%	0.7	69%	0.689	S	S	*	*			trans	-54.6	35.6	132.3	-68.9	174.7	176.2	157.3	0	113.2	D5	D5-K8 IonicContact OD1-NZ 3.91Å
9	C	26.7	Very low	31.8	Very low	78 Å²	78	131.7 Å²	131.7	53%	0.527	69%	0.689	S	S	.	*			trans	-105.4	94.4	177.1	-40	0	0	0	0	104.5	T7	T7-C9 VanDerWaalsContact CA-SG 3.56Å; T7-C9 HydrophobicContact CG2-CB 3.21Å; T7-C9 WeakPolarHBondContact CG2-SG 3.48Å; T7-C9 PolarHBondContact O-N 2.78Å
10	F	26.6	Very low	32.5	Very low	155 Å²	155	125.5 Å²	125.5	68%	0.68	66%	0.656	S	S	*	*	S	Bend		-162.2	45	64.1	-107.1	-119.2	0	0	0	109.1	F12 C13	F10-F12 PolarHBondContact O-N 3.02Å; F10-C13 HydrophobicContact CD1-CB 3.16Å; F10-C13 WeakPolarHBondContact CD1-SG 3.44Å; F10-C13 HydrophobicContact CE1-CB 3.53Å; F10-C13 WeakPolarHBondContact CE1-SG 3.08Å; F10-C13 HydrophobicContact CG-CB 4.12Å; F10-C13 PolarHBondContact O-N 2.71Å
11	E	25.7	Very low	33.5	Very low	172 Å²	172	120.4 Å²	120.4	80%	0.804	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-0.4	-172.9	-128.8	-171.3	126	0	0	114.8
12	F	26	Very low	34.2	Very low	185 Å²	185	109 Å²	109	81%	0.811	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-161.5	36.6	-176.9	-132.1	-90.4	0	0	0	113.5	F10 F14	F10-F12 PolarHBondContact O-N 3.02Å; F12-F14 PolarHBondContact O-N 3.31Å
13	C	28.5	Very low	34.9	Very low	60 Å²	60	99.8 Å²	99.8	41%	0.405	53%	0.531	S	S	.	.			trans	-77.5	77.1	173.3	-112.9	0	0	0	0	111.4	F10 W18	F10-C13 HydrophobicContact CD1-CB 3.16Å; F10-C13 WeakPolarHBondContact CD1-SG 3.44Å; F10-C13 HydrophobicContact CE1-CB 3.53Å; F10-C13 WeakPolarHBondContact CE1-SG 3.08Å; F10-C13 HydrophobicContact CG-CB 4.12Å; F10-C13 PolarHBondContact O-N 2.71Å; C13-W18 HydrophobicContact CB-CH2 4.07Å; C13-W18 HydrophobicContact CB-CZ3 4.09Å; C13-W18 WeakPolarHBondContact O-CZ3 3.49Å; C13-W18 VanDerWaalsContact SG-CH2 3.57Å
14	F	30	Very low	35.9	Very low	103 Å²	103	96.4 Å²	96.4	45%	0.452	50%	0.5	S	S	.	.			trans	68	55.7	135.3	-104.6	-125.3	0	0	0	117.2	F12 S16 H17 W18	F12-F14 PolarHBondContact O-N 3.31Å; F14-S16 PolarHBondContact O-N 2.83Å; F14-S16 VanDerWaalsContact O-N 3.08Å; F14-H17 HydrophobicContact CD1-CB 3.44Å; F14-H17 VanDerWaalsContact CD1-CB 3.44Å; F14-H17 HydrophobicContact CE1-CB 3.22Å; F14-H17 HydrophobicContact CZ-CB 4.19Å; F14-W18 HydrophobicContact CB-CD2 3.72Å; F14-W18 HydrophobicContact CB-CE3 3.21Å; F14-W18 HydrophobicContact CB-CH2 3.48Å; F14-W18 VanDerWaalsContact CB-CH2 3.48Å; F14-W18 HydrophobicContact CB-CZ2 3.95Å; F14-W18 HydrophobicContact CB-CZ3 3.09Å; F14-W18 AromaticContact CD1-CD2 3.97Å; F14-W18 HydrophobicContact CD1-CD2 3.97Å; F14-W18 AromaticContact CD1-CE2 3.9Å; F14-W18 HydrophobicContact CD1-CE3 4.35Å; F14-W18 HydrophobicContact CD1-CG 4.38Å; F14-W18 HydrophobicContact CD1-CZ2 4.18Å; F14-W18 HydrophobicContact CG-CD2 4.3Å; F14-W18 HydrophobicContact CG-CE3 4.24Å; F14-W18 HydrophobicContact CG-CH2 4.17Å; F14-W18 HydrophobicContact CG-CZ2 4.23Å; F14-W18 HydrophobicContact CG-CZ3 4.18Å
15	M	31.6	Very low	36.8	Very low	144 Å²	144	93.9 Å²	93.9	71%	0.709	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	31.2	151.8	-71.4	-174.7	64.2	0	0	113
16	S	31	Very low	37.3	Very low	102 Å²	102	94.2 Å²	94.2	71%	0.713	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146	4.5	-176.2	-54.3	0	0	0	0	116.3	F14	F14-S16 PolarHBondContact O-N 2.83Å; F14-S16 VanDerWaalsContact O-N 3.08Å
17	H	33.6	Very low	38.5	Very low	146 Å²	146	91.6 Å²	91.6	68%	0.676	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157.1	8.9	177.5	-147.8	66.9	0	0	0	117.1	F14	F14-H17 HydrophobicContact CD1-CB 3.44Å; F14-H17 VanDerWaalsContact CD1-CB 3.44Å; F14-H17 HydrophobicContact CE1-CB 3.22Å; F14-H17 HydrophobicContact CZ-CB 4.19Å
18	W	37	Very low	39.4	Very low	89 Å²	89	93 Å²	93	34%	0.337	46%	0.463	S	S	.	.			trans	-99.2	113.4	-176.5	-82.9	-46.4	0	0	0	112.9	C13 F14 G87	C13-W18 HydrophobicContact CB-CH2 4.07Å; C13-W18 HydrophobicContact CB-CZ3 4.09Å; C13-W18 WeakPolarHBondContact O-CZ3 3.49Å; C13-W18 VanDerWaalsContact SG-CH2 3.57Å; F14-W18 HydrophobicContact CB-CD2 3.72Å; F14-W18 HydrophobicContact CB-CE3 3.21Å; F14-W18 HydrophobicContact CB-CH2 3.48Å; F14-W18 VanDerWaalsContact CB-CH2 3.48Å; F14-W18 HydrophobicContact CB-CZ2 3.95Å; F14-W18 HydrophobicContact CB-CZ3 3.09Å; F14-W18 AromaticContact CD1-CD2 3.97Å; F14-W18 HydrophobicContact CD1-CD2 3.97Å; F14-W18 AromaticContact CD1-CE2 3.9Å; F14-W18 HydrophobicContact CD1-CE3 4.35Å; F14-W18 HydrophobicContact CD1-CG 4.38Å; F14-W18 HydrophobicContact CD1-CZ2 4.18Å; F14-W18 HydrophobicContact CG-CD2 4.3Å; F14-W18 HydrophobicContact CG-CE3 4.24Å; F14-W18 HydrophobicContact CG-CH2 4.17Å; F14-W18 HydrophobicContact CG-CZ2 4.23Å; F14-W18 HydrophobicContact CG-CZ3 4.18Å; W18-G87 WeakPolarHBondContact O-CA 3.43Å; W18-G87 PolarHBondContact O-N 2.98Å; W18-G87 VanDerWaalsContact O-N 3.13Å
19	E	37	Very low	40.8	Very low	145 Å²	145	90 Å²	90	68%	0.678	46%	0.462	S	S	*	.			trans	-85.4	112.8	168.3	-61.5	179.1	105.4	0	0	108.2	N86	E19-N86 VanDerWaalsContact CA-OD1 3.25Å; E19-N86 WeakPolarHBondContact CA-OD1 3.17Å
20	N	46.9	Very low	42.5	Very low	8 Å²	8	90.8 Å²	90.8	4%	0.043	47%	0.465	C	S	.	.			trans	78	115.6	174.7	-36.6	-69.1	0	0	0	119.8	E48 F49 E50 F85 N86	N20-E48 WeakPolarHBondContact CB-O 3.45Å; N20-E48 PolarHBondContact ND2-O 3.04Å; N20-F49 HydrophobicContact CB-CB 4.49Å; N20-E50 PolarHBondContact O-N 3.44Å; N20-E50 VanDerWaalsContact O-N 3.16Å; N20-F85 CarbonylContact C-O 3.52Å; N20-F85 WeakPolarHBondContact CA-O 3.39Å; N20-N86 PolarHBondContact N-OD1 3.01Å; N20-N86 VanDerWaalsContact N-OD1 3.09Å; N20-N86 PolarHBondContact OD1-ND2 3.32Å
21	V	53.2	Low	44.4	Very low	18 Å²	18	84.3 Å²	84.3	11%	0.109	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.5	179.9	174.4	0	0	0	0	111.3	V52 I84 F85	V21-V52 HydrophobicContact CG1-CB 4.2Å; V21-V52 HydrophobicContact CG1-CG2 3.61Å; V21-I84 WeakPolarHBondContact O-CA 3.4Å; V21-F85 HydrophobicContact CB-CB 4.18Å; V21-F85 PolarHBondContact N-O 3.09Å; V21-F85 PolarHBondContact O-N 3.46Å
22	I	54.8	Low	46.6	Very low	2 Å²	2	82 Å²	82	1%	0.01	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.4	177.3	-50.7	169.6	0	0	0	110.2	I24 V38 V39 L42 F49 E50 V52 P82	I22-I24 HydrophobicContact CG2-CG1 4.25Å; I22-V38 HydrophobicContact CD1-CG1 4.12Å; I22-V39 HydrophobicContact CD1-CG2 4.12Å; I22-L42 HydrophobicContact CD1-CD1 3.26Å; I22-L42 HydrophobicContact CG1-CD1 4.08Å; I22-F49 HydrophobicContact CD1-CB 4.04Å; I22-F49 HydrophobicContact CD1-CD2 3.38Å; I22-F49 HydrophobicContact CD1-CE2 4.09Å; I22-F49 HydrophobicContact CD1-CG 3.85Å; I22-F49 HydrophobicContact CG1-CB 4.44Å; I22-F49 HydrophobicContact CG1-CD2 4.37Å; I22-E50 PolarHBondContact N-O 3.16Å; I22-V52 PolarHBondContact O-N 3.3Å; I22-P82 HydrophobicContact CG2-CB 4.33Å
23	C	53.7	Low	49.1	Very low	2 Å²	2	80.5 Å²	80.5	1%	0.014	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.3	175.2	-59.2	0	0	0	0	112.3	V52 I54 M64 P81 P82 Q83	C23-V52 CarbonylContact C-O 3.57Å; C23-V52 WeakPolarHBondContact CA-O 3.42Å; C23-I54 HydrophobicContact CB-CG2 3.85Å; C23-M64 HydrophobicContact CB-CE 4.22Å; C23-M64 HydrophobicContact CB-CG 4.47Å; C23-P81 WeakPolarHBondContact O-CB 3.49Å; C23-P82 WeakPolarHBondContact O-CA 3.25Å; C23-Q83 HydrophobicContact CB-CB 4.18Å; C23-Q83 PolarHBondContact N-O 2.95Å
24	I	49.9	Very low	51.5	Low	20 Å²	20	80.6 Å²	80.6	10%	0.103	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144.7	-177.3	-63.3	-173.9	0	0	0	111.6	I22 Q35 E51 V52 I54	I22-I24 HydrophobicContact CG2-CG1 4.25Å; I24-Q35 HydrophobicContact CG1-CG 4.14Å; I24-E51 HydrophobicContact CD1-CB 3.87Å; I24-E51 HydrophobicContact CD1-CG 3.71Å; I24-E51 WeakPolarHBondContact CD1-OE2 3.39Å; I24-V52 PolarHBondContact N-O 2.95Å; I24-I54 WeakPolarHBondContact O-CG1 3.31Å; I24-I54 PolarHBondContact O-N 2.89Å
25	K	53	Low	53.6	Low	57 Å²	57	76 Å²	76	25%	0.248	39%	0.391	C	S	.	.			trans	-123.5	133.3	164.4	-80.9	-151.5	174	-174.1	0	111.8	G27 I54 T55 P81	K25-G27 VanDerWaalsContact C-N 3.33Å; K25-G27 PolarHBondContact O-N 2.78Å; K25-I54 HydrophobicContact CD-CD1 4.27Å; K25-I54 HydrophobicContact CD-CG1 4.25Å; K25-I54 HydrophobicContact CG-CD1 3.65Å; K25-I54 HydrophobicContact CG-CG1 3.43Å; K25-I54 VanDerWaalsContact CG-CG1 3.43Å; K25-T55 HydrophobicContact CB-CG2 3.67Å; K25-T55 HydrophobicContact CD-CG2 3.7Å; K25-T55 HydrophobicContact CG-CG2 3.42Å; K25-T55 VanDerWaalsContact CG-CG2 3.42Å; K25-P81 HydrophobicContact CB-CG 3.76Å; K25-P81 HydrophobicContact CG-CG 3.83Å
26	Q	48.5	Very low	56	Low	144 Å²	144	73.4 Å²	73.4	67%	0.673	38%	0.377	S	S	*	.	S	Bend	trans	-77.4	76.4	168.7	-64.4	-173.8	43.2	0	0	111.3	D53	Q26-D53 PolarHBondContact NE2-OD2 3.18Å
27	G	52.1	Low	58.7	Low	40 Å²	40	70.7 Å²	70.7	41%	0.412	36%	0.355	S	S	.	.			trans	175.5	129.3	173.8	0	0	0	0	0	113.1	K25	K25-G27 VanDerWaalsContact C-N 3.33Å; K25-G27 PolarHBondContact O-N 2.78Å
28	I	51.1	Low	61	Low	122 Å²	122	63.8 Å²	63.8	63%	0.626	32%	0.323	S	S	*	.			trans	88.2	114.5	-176.2	-50.9	170.9	0	0	0	113.6	V30 I31 K32	I28-V30 HydrophobicContact CG2-CB 4.25Å; I28-V30 PolarHBondContact O-N 3.08Å; I28-I31 HydrophobicContact CB-CB 4.41Å; I28-I31 HydrophobicContact CB-CD1 4.12Å; I28-I31 HydrophobicContact CB-CG1 4.25Å; I28-I31 HydrophobicContact CD1-CD1 4Å; I28-I31 HydrophobicContact CG2-CG1 4.42Å; I28-I31 PolarHBondContact O-N 2.98Å; I28-K32 PolarHBondContact O-N 3.13Å; I28-K32 VanDerWaalsContact O-N 3.1Å
29	S	59.3	Low	63.2	Low	97 Å²	97	60.2 Å²	60.2	68%	0.678	31%	0.311	S	S	*	.	H	α-helix	trans	-54.2	-28.9	-178.2	-67	0	0	0	0	114.6	K33	S29-K33 WeakPolarHBondContact O-CG 3.44Å; S29-K33 PolarHBondContact O-N 3.43Å
30	V	62.7	Low	65.5	Low	96 Å²	96	60.9 Å²	60.9	58%	0.582	31%	0.307	S	S	*	.	H	α-helix	trans	-73.3	-44.4	178	179.9	0	0	0	0	111.3	I28 K32 K33 K34	I28-V30 HydrophobicContact CG2-CB 4.25Å; I28-V30 PolarHBondContact O-N 3.08Å; V30-K32 VanDerWaalsContact C-N 3.35Å; V30-K33 PolarHBondContact O-N 2.69Å; V30-K34 PolarHBondContact O-N 3.44Å; V30-K34 VanDerWaalsContact O-N 3.16Å
31	I	67.7	Low	67.3	Low	19 Å²	19	62.3 Å²	62.3	10%	0.097	31%	0.313	C	S	.	.	H	α-helix	trans	-65.2	-42	179	-67.8	179.2	0	0	0	110.3	I28 K33 K34 Q35 P81	I28-I31 HydrophobicContact CB-CB 4.41Å; I28-I31 HydrophobicContact CB-CD1 4.12Å; I28-I31 HydrophobicContact CB-CG1 4.25Å; I28-I31 HydrophobicContact CD1-CD1 4Å; I28-I31 HydrophobicContact CG2-CG1 4.42Å; I28-I31 PolarHBondContact O-N 2.98Å; I31-K33 VanDerWaalsContact C-N 3.32Å; I31-K33 PolarHBondContact O-N 3.24Å; I31-K34 PolarHBondContact O-N 3.09Å; I31-Q35 VanDerWaalsContact CG2-NE2 3.27Å; I31-Q35 WeakPolarHBondContact O-CG 3.42Å; I31-Q35 PolarHBondContact O-N 3.17Å; I31-P81 HydrophobicContact CG2-CG 3.95Å
32	K	70.3	Confident	68.7	Low	124 Å²	124	61.6 Å²	61.6	54%	0.539	31%	0.308	S	S	.	.	H	α-helix	trans	-61.7	-38.6	177.4	-166.6	173.6	-177.2	174.2	0	112.7	I28 V30 Q36	I28-K32 PolarHBondContact O-N 3.13Å; I28-K32 VanDerWaalsContact O-N 3.1Å; V30-K32 VanDerWaalsContact C-N 3.35Å; K32-Q36 WeakPolarHBondContact O-CB 3.37Å; K32-Q36 WeakPolarHBondContact O-CG 3.47Å; K32-Q36 PolarHBondContact O-N 2.86Å
33	K	78.1	Confident	70.1	Confident	152 Å²	152	67 Å²	67	66%	0.661	33%	0.334	S	S	*	.	H	α-helix	trans	-64.9	-43.8	174.9	-78.4	178.7	177.5	-179.2	0	112	S29 V30 I31 Q36 D37	S29-K33 WeakPolarHBondContact O-CG 3.44Å; S29-K33 PolarHBondContact O-N 3.43Å; V30-K33 PolarHBondContact O-N 2.69Å; I31-K33 VanDerWaalsContact C-N 3.32Å; I31-K33 PolarHBondContact O-N 3.24Å; K33-Q36 PolarHBondContact O-N 3.49Å; K33-D37 PolarHBondContact O-N 2.88Å
34	K	80.4	Confident	71.7	Confident	62 Å²	62	70.9 Å²	70.9	27%	0.27	37%	0.365	S	S	.	.	H	α-helix	trans	-60.1	-46.2	176.3	-72.4	-172	168.8	-156.6	0	111.5	V30 I31 D37 V38 P82 Y94 D95	V30-K34 PolarHBondContact O-N 3.44Å; V30-K34 VanDerWaalsContact O-N 3.16Å; I31-K34 PolarHBondContact O-N 3.09Å; K34-D37 PolarHBondContact O-N 3.06Å; K34-V38 WeakPolarHBondContact O-CG2 3.5Å; K34-V38 PolarHBondContact O-N 3.24Å; K34-P82 HydrophobicContact CB-CG 4.14Å; K34-Y94 HydrophobicContact CB-CD2 3.52Å; K34-Y94 HydrophobicContact CB-CE2 3.66Å; K34-Y94 HydrophobicContact CB-CG 3.96Å; K34-Y94 HydrophobicContact CD-CD1 3.55Å; K34-Y94 HydrophobicContact CD-CD2 4.09Å; K34-Y94 HydrophobicContact CD-CE1 3.93Å; K34-Y94 HydrophobicContact CD-CE2 4.41Å; K34-Y94 HydrophobicContact CD-CG 3.62Å; K34-Y94 HydrophobicContact CG-CD1 3.94Å; K34-Y94 HydrophobicContact CG-CD2 3.82Å; K34-Y94 HydrophobicContact CG-CE1 3.89Å; K34-Y94 HydrophobicContact CG-CE2 3.76Å; K34-Y94 HydrophobicContact CG-CG 3.89Å; K34-D95 IonicContact NZ-OD1 2.96Å
35	Q	74.3	Confident	73.1	Confident	7 Å²	7	71.9 Å²	71.9	3%	0.033	37%	0.371	C	S	.	.	H	α-helix	trans	-61.2	-48.7	176.2	-71.8	157.3	-11.9	0	0	112.1	I24 I31 D37 V38 V39 P82	I24-Q35 HydrophobicContact CG1-CG 4.14Å; I31-Q35 VanDerWaalsContact CG2-NE2 3.27Å; I31-Q35 WeakPolarHBondContact O-CG 3.42Å; I31-Q35 PolarHBondContact O-N 3.17Å; Q35-D37 VanDerWaalsContact C-N 3.27Å; Q35-D37 PolarHBondContact O-N 3.31Å; Q35-V38 PolarHBondContact O-N 3.22Å; Q35-V39 WeakPolarHBondContact O-CG2 3.31Å; Q35-V39 PolarHBondContact O-N 3.36Å; Q35-P82 HydrophobicContact CG-CB 3.9Å; Q35-P82 HydrophobicContact CG-CG 4.25Å
36	Q	82.4	Confident	74.3	Confident	89 Å²	89	77.1 Å²	77.1	42%	0.416	39%	0.394	S	S	.	.	H	α-helix	trans	-60.8	-35.7	178.1	-78.6	-175.8	-21.9	0	0	112.7	K32 K33 R40	K32-Q36 WeakPolarHBondContact O-CB 3.37Å; K32-Q36 WeakPolarHBondContact O-CG 3.47Å; K32-Q36 PolarHBondContact O-N 2.86Å; K33-Q36 PolarHBondContact O-N 3.49Å; Q36-R40 VanDerWaalsContact O-CB 3.23Å; Q36-R40 WeakPolarHBondContact O-CB 3.41Å; Q36-R40 WeakPolarHBondContact O-CG 3.36Å; Q36-R40 PolarHBondContact O-N 3.22Å
37	D	85.8	Confident	75.8	Confident	46 Å²	46	70.9 Å²	70.9	25%	0.246	37%	0.365	C	S	.	.	H	α-helix	trans	-65.7	-41.8	176.5	-170.8	-122.7	0	0	0	111.9	K33 K34 Q35 F41 Y94 K101	K33-D37 PolarHBondContact O-N 2.88Å; K34-D37 PolarHBondContact O-N 3.06Å; Q35-D37 VanDerWaalsContact C-N 3.27Å; Q35-D37 PolarHBondContact O-N 3.31Å; D37-F41 WeakPolarHBondContact O-CB 3.36Å; D37-F41 PolarHBondContact O-N 3.2Å; D37-Y94 HydrophobicContact CB-CE2 4.46Å; D37-K101 VanDerWaalsContact CG-NZ 3.25Å; D37-K101 IonicContact OD1-NZ 3.55Å; D37-K101 PolarHBondContact OD1-NZ 3.32Å; D37-K101 IonicContact OD2-NZ 2.77Å; D37-K101 PolarHBondContact OD2-NZ 2.81Å
38	V	82.9	Confident	77	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-62.9	-51.6	174.9	179	0	0	0	0	110.4	I22 K34 Q35 R40 F41 L42 P82 I84 Y94 F97	I22-V38 HydrophobicContact CD1-CG1 4.12Å; K34-V38 WeakPolarHBondContact O-CG2 3.5Å; K34-V38 PolarHBondContact O-N 3.24Å; Q35-V38 PolarHBondContact O-N 3.22Å; V38-R40 PolarHBondContact O-N 2.76Å; V38-F41 WeakPolarHBondContact O-CB 3.27Å; V38-F41 PolarHBondContact O-N 3.42Å; V38-L42 HydrophobicContact CG1-CD1 3.83Å; V38-L42 HydrophobicContact CG1-CG 4.45Å; V38-L42 VanDerWaalsContact O-CG 3.3Å; V38-L42 WeakPolarHBondContact O-CG 3.39Å; V38-L42 PolarHBondContact O-N 2.79Å; V38-P82 HydrophobicContact CG2-CG 4.18Å; V38-I84 HydrophobicContact CG1-CD1 3.98Å; V38-I84 HydrophobicContact CG1-CG1 4.32Å; V38-I84 HydrophobicContact CG2-CD1 4.41Å; V38-Y94 HydrophobicContact CG2-CD2 4.01Å; V38-Y94 HydrophobicContact CG2-CE2 4.4Å; V38-F97 HydrophobicContact CB-CE1 4.25Å; V38-F97 HydrophobicContact CB-CZ 4.36Å; V38-F97 HydrophobicContact CG1-CD2 4.49Å; V38-F97 HydrophobicContact CG1-CE1 4.45Å; V38-F97 HydrophobicContact CG1-CE2 4.18Å; V38-F97 HydrophobicContact CG1-CZ 4.16Å; V38-F97 HydrophobicContact CG2-CD1 3.72Å; V38-F97 HydrophobicContact CG2-CE1 3.77Å; V38-F97 HydrophobicContact CG2-CG 4.22Å; V38-F97 HydrophobicContact CG2-CZ 4.3Å
39	V	83.1	Confident	78.3	Confident	14 Å²	14	73.8 Å²	73.8	9%	0.085	36%	0.364	C	S	.	.	H	α-helix	trans	-56.8	-52.5	179.6	168	0	0	0	0	111	I22 Q35 F41 L42 E43 F49 E51	I22-V39 HydrophobicContact CD1-CG2 4.12Å; Q35-V39 WeakPolarHBondContact O-CG2 3.31Å; Q35-V39 PolarHBondContact O-N 3.36Å; V39-F41 PolarHBondContact O-N 2.81Å; V39-L42 PolarHBondContact O-N 2.95Å; V39-L42 VanDerWaalsContact O-N 3.09Å; V39-E43 HydrophobicContact CG1-CG 4.37Å; V39-E43 WeakPolarHBondContact O-CG 3.49Å; V39-E43 PolarHBondContact O-N 3.44Å; V39-F49 HydrophobicContact CB-CE2 4.41Å; V39-F49 HydrophobicContact CB-CZ 4.43Å; V39-F49 HydrophobicContact CG1-CE2 3.95Å; V39-F49 HydrophobicContact CG1-CZ 3.7Å; V39-F49 HydrophobicContact CG2-CE2 4.07Å; V39-E51 HydrophobicContact CG2-CG 4.27Å
40	R	84.7	Confident	79.2	Confident	160 Å²	160	72.8 Å²	72.8	60%	0.604	35%	0.349	S	S	*	.	H	α-helix	trans	-58.9	-37.5	179.1	-75.9	173.9	179.3	-167.3	-0.3	112.5	Q36 V38 A44	Q36-R40 VanDerWaalsContact O-CB 3.23Å; Q36-R40 WeakPolarHBondContact O-CB 3.41Å; Q36-R40 WeakPolarHBondContact O-CG 3.36Å; Q36-R40 PolarHBondContact O-N 3.22Å; V38-R40 PolarHBondContact O-N 2.76Å; R40-A44 WeakPolarHBondContact O-CB 3.43Å; R40-A44 PolarHBondContact O-N 3.02Å
41	F	85.3	Confident	79.7	Confident	38 Å²	38	73.4 Å²	73.4	17%	0.167	35%	0.346	C	S	.	.	H	α-helix	trans	-66.2	-45.2	177.1	-179.5	-86.5	0	0	0	111.3	D37 V38 V39 A44 N45 F97 K101 V106	D37-F41 WeakPolarHBondContact O-CB 3.36Å; D37-F41 PolarHBondContact O-N 3.2Å; V38-F41 WeakPolarHBondContact O-CB 3.27Å; V38-F41 PolarHBondContact O-N 3.42Å; V39-F41 PolarHBondContact O-N 2.81Å; F41-A44 PolarHBondContact O-N 2.89Å; F41-N45 VanDerWaalsContact CE1-ND2 3.27Å; F41-N45 WeakPolarHBondContact CE1-ND2 3.23Å; F41-N45 WeakPolarHBondContact CE2-ND2 2.96Å; F41-N45 WeakPolarHBondContact CZ-ND2 3.23Å; F41-N45 WeakPolarHBondContact O-CB 3.36Å; F41-N45 PolarHBondContact O-N 3.49Å; F41-N45 PolarHBondContact O-ND2 3.48Å; F41-F97 HydrophobicContact CB-CE1 4.49Å; F41-F97 HydrophobicContact CB-CZ 3.82Å; F41-F97 AromaticContact CD1-CE2 3.97Å; F41-F97 HydrophobicContact CD1-CE2 3.97Å; F41-F97 AromaticContact CD1-CZ 3.6Å; F41-F97 HydrophobicContact CD1-CZ 3.6Å; F41-F97 HydrophobicContact CE1-CE2 4.46Å; F41-F97 HydrophobicContact CE1-CZ 4.36Å; F41-F97 AromaticContact CG-CZ 3.74Å; F41-F97 HydrophobicContact CG-CZ 3.74Å; F41-K101 HydrophobicContact CD2-CD 4.13Å; F41-K101 HydrophobicContact CD2-CG 4.13Å; F41-K101 HydrophobicContact CE2-CD 4.41Å; F41-K101 HydrophobicContact CE2-CG 3.9Å; F41-V106 HydrophobicContact CD1-CG1 4.14Å; F41-V106 HydrophobicContact CE1-CB 3.71Å; F41-V106 HydrophobicContact CE1-CG1 3.45Å; F41-V106 VanDerWaalsContact CE1-CG1 3.45Å; F41-V106 HydrophobicContact CE1-CG2 3.85Å; F41-V106 HydrophobicContact CZ-CB 3.9Å; F41-V106 HydrophobicContact CZ-CG1 4.15Å; F41-V106 HydrophobicContact CZ-CG2 3.69Å
42	L	83.6	Confident	80	Confident	2 Å²	2	73.2 Å²	73.2	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-64.3	-44.5	179.5	-64.2	167.2	0	0	0	111	I22 V38 V39 N45 K46 I47 F49 L110	I22-L42 HydrophobicContact CD1-CD1 3.26Å; I22-L42 HydrophobicContact CG1-CD1 4.08Å; V38-L42 HydrophobicContact CG1-CD1 3.83Å; V38-L42 HydrophobicContact CG1-CG 4.45Å; V38-L42 VanDerWaalsContact O-CG 3.3Å; V38-L42 WeakPolarHBondContact O-CG 3.39Å; V38-L42 PolarHBondContact O-N 2.79Å; V39-L42 PolarHBondContact O-N 2.95Å; V39-L42 VanDerWaalsContact O-N 3.09Å; L42-N45 CarbonylContact O-C 3.59Å; L42-N45 PolarHBondContact O-N 3.19Å; L42-K46 PolarHBondContact O-N 2.79Å; L42-I47 HydrophobicContact CB-CB 4.29Å; L42-I47 HydrophobicContact CD2-CB 3.96Å; L42-I47 HydrophobicContact CD2-CD1 3.84Å; L42-I47 HydrophobicContact CD2-CG2 3.78Å; L42-I47 PolarHBondContact O-N 2.78Å; L42-F49 HydrophobicContact CB-CD1 3.45Å; L42-F49 VanDerWaalsContact CB-CD1 3.45Å; L42-F49 HydrophobicContact CB-CE1 3.77Å; L42-F49 HydrophobicContact CB-CG 4.18Å; L42-F49 HydrophobicContact CD1-CB 3.92Å; L42-F49 HydrophobicContact CD1-CD1 4Å; L42-F49 HydrophobicContact CD1-CD2 4.41Å; L42-F49 HydrophobicContact CD1-CG 3.84Å; L42-F49 HydrophobicContact CG-CD1 4.35Å; L42-L110 HydrophobicContact CD2-CD1 3.51Å
43	E	83.6	Confident	80.1	Confident	117 Å²	117	69 Å²	69	55%	0.547	33%	0.328	S	S	.	.	H	α-helix	trans	-58.6	-48.6	173.2	-69.4	-177.8	133.7	0	0	111.9	V39 N45 K46 F49	V39-E43 HydrophobicContact CG1-CG 4.37Å; V39-E43 WeakPolarHBondContact O-CG 3.49Å; V39-E43 PolarHBondContact O-N 3.44Å; E43-N45 PolarHBondContact O-N 3.4Å; E43-K46 PolarHBondContact O-N 3.17Å; E43-F49 HydrophobicContact CG-CE1 3.63Å; E43-F49 HydrophobicContact CG-CZ 3.72Å
44	A	86	Confident	79.8	Confident	82 Å²	82	61.8 Å²	61.8	68%	0.678	30%	0.297	S	S	*	.	H	α-helix	trans	-61.6	-34	179.7	0	0	0	0	0	112.4	R40 F41 K46	R40-A44 WeakPolarHBondContact O-CB 3.43Å; R40-A44 PolarHBondContact O-N 3.02Å; F41-A44 PolarHBondContact O-N 2.89Å; A44-K46 VanDerWaalsContact C-N 3.3Å
45	N	79.4	Confident	79.1	Confident	42 Å²	42	61.7 Å²	61.7	23%	0.225	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	0.5	176.6	-75	-84.9	0	0	0	113.3	F41 L42 E43 I47 F107 R115	F41-N45 VanDerWaalsContact CE1-ND2 3.27Å; F41-N45 WeakPolarHBondContact CE1-ND2 3.23Å; F41-N45 WeakPolarHBondContact CE2-ND2 2.96Å; F41-N45 WeakPolarHBondContact CZ-ND2 3.23Å; F41-N45 WeakPolarHBondContact O-CB 3.36Å; F41-N45 PolarHBondContact O-N 3.49Å; F41-N45 PolarHBondContact O-ND2 3.48Å; L42-N45 CarbonylContact O-C 3.59Å; L42-N45 PolarHBondContact O-N 3.19Å; E43-N45 PolarHBondContact O-N 3.4Å; N45-I47 HydrophobicContact CB-CD1 3.64Å; N45-I47 HydrophobicContact CB-CG1 3.84Å; N45-I47 PolarHBondContact O-N 2.74Å; N45-F107 HydrophobicContact CB-CZ 4.08Å; N45-R115 PolarHBondContact O-NH2 3.4Å
46	K	79.9	Confident	78.7	Confident	167 Å²	167	68 Å²	68	73%	0.726	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	45.2	-173.6	-53	-176.7	-179.3	-176.1	0	111.6	L42 E43 A44	L42-K46 PolarHBondContact O-N 2.79Å; E43-K46 PolarHBondContact O-N 3.17Å; A44-K46 VanDerWaalsContact C-N 3.3Å
47	I	79.3	Confident	78.2	Confident	13 Å²	13	65.4 Å²	65.4	7%	0.067	33%	0.325	C	S	.	.			trans	-93.1	129.1	171.9	-63.2	166.4	0	0	0	106.1	L42 N45 F49 F107 L110 L112	L42-I47 HydrophobicContact CB-CB 4.29Å; L42-I47 HydrophobicContact CD2-CB 3.96Å; L42-I47 HydrophobicContact CD2-CD1 3.84Å; L42-I47 HydrophobicContact CD2-CG2 3.78Å; L42-I47 PolarHBondContact O-N 2.78Å; N45-I47 HydrophobicContact CB-CD1 3.64Å; N45-I47 HydrophobicContact CB-CG1 3.84Å; N45-I47 PolarHBondContact O-N 2.74Å; I47-F49 WeakPolarHBondContact O-CD1 3.05Å; I47-F107 HydrophobicContact CD1-CD1 4.2Å; I47-F107 HydrophobicContact CD1-CE1 3.72Å; I47-F107 HydrophobicContact CD1-CZ 4.1Å; I47-F107 HydrophobicContact CG1-CE1 3.9Å; I47-L110 HydrophobicContact CD1-CD1 3.92Å; I47-L110 HydrophobicContact CG2-CD1 4.27Å; I47-L112 HydrophobicContact CD1-CD1 4.42Å; I47-L112 HydrophobicContact CG1-CD1 4.28Å; I47-L112 HydrophobicContact CG2-CD1 3.51Å
48	E	77.1	Confident	77.7	Confident	173 Å²	173	67.6 Å²	67.6	81%	0.808	33%	0.334	S	S	*	.			trans	-74.2	133.7	174.1	-64.1	-177.1	97.2	0	0	109.4	N20	N20-E48 WeakPolarHBondContact CB-O 3.45Å; N20-E48 PolarHBondContact ND2-O 3.04Å
49	F	78.1	Confident	77.5	Confident	49 Å²	49	75.1 Å²	75.1	22%	0.215	37%	0.369	C	S	.	.			trans	-148.8	156.4	179.6	65.6	-85.7	0	0	0	110.6	N20 I22 V39 L42 E43 I47 E51	N20-F49 HydrophobicContact CB-CB 4.49Å; I22-F49 HydrophobicContact CD1-CB 4.04Å; I22-F49 HydrophobicContact CD1-CD2 3.38Å; I22-F49 HydrophobicContact CD1-CE2 4.09Å; I22-F49 HydrophobicContact CD1-CG 3.85Å; I22-F49 HydrophobicContact CG1-CB 4.44Å; I22-F49 HydrophobicContact CG1-CD2 4.37Å; V39-F49 HydrophobicContact CB-CE2 4.41Å; V39-F49 HydrophobicContact CB-CZ 4.43Å; V39-F49 HydrophobicContact CG1-CE2 3.95Å; V39-F49 HydrophobicContact CG1-CZ 3.7Å; V39-F49 HydrophobicContact CG2-CE2 4.07Å; L42-F49 HydrophobicContact CB-CD1 3.45Å; L42-F49 VanDerWaalsContact CB-CD1 3.45Å; L42-F49 HydrophobicContact CB-CE1 3.77Å; L42-F49 HydrophobicContact CB-CG 4.18Å; L42-F49 HydrophobicContact CD1-CB 3.92Å; L42-F49 HydrophobicContact CD1-CD1 4Å; L42-F49 HydrophobicContact CD1-CD2 4.41Å; L42-F49 HydrophobicContact CD1-CG 3.84Å; L42-F49 HydrophobicContact CG-CD1 4.35Å; E43-F49 HydrophobicContact CG-CE1 3.63Å; E43-F49 HydrophobicContact CG-CZ 3.72Å; I47-F49 WeakPolarHBondContact O-CD1 3.05Å; F49-E51 HydrophobicContact CD2-CG 4.06Å; F49-E51 HydrophobicContact CE2-CG 3.74Å
50	E	78.2	Confident	77.1	Confident	76 Å²	76	78 Å²	78	36%	0.355	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.4	171.7	-171	172.8	79.3	0	0	111.5	N20 I22 V52	N20-E50 PolarHBondContact O-N 3.44Å; N20-E50 VanDerWaalsContact O-N 3.16Å; I22-E50 PolarHBondContact N-O 3.16Å; E50-V52 HydrophobicContact CG-CG2 4.34Å
51	E	73.3	Confident	76.7	Confident	110 Å²	110	74.2 Å²	74.2	51%	0.514	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	112.6	173.7	-68.3	-179.2	-107.2	0	0	110.2	I24 V39 F49	I24-E51 HydrophobicContact CD1-CB 3.87Å; I24-E51 HydrophobicContact CD1-CG 3.71Å; I24-E51 WeakPolarHBondContact CD1-OE2 3.39Å; V39-E51 HydrophobicContact CG2-CG 4.27Å; F49-E51 HydrophobicContact CD2-CG 4.06Å; F49-E51 HydrophobicContact CE2-CG 3.74Å
52	V	75.1	Confident	76.6	Confident	15 Å²	15	76.1 Å²	76.1	9%	0.091	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.8	-179.3	174.3	0	0	0	0	110.1	V21 I22 C23 I24 E50 I54 Q60	V21-V52 HydrophobicContact CG1-CB 4.2Å; V21-V52 HydrophobicContact CG1-CG2 3.61Å; I22-V52 PolarHBondContact O-N 3.3Å; C23-V52 CarbonylContact C-O 3.57Å; C23-V52 WeakPolarHBondContact CA-O 3.42Å; I24-V52 PolarHBondContact N-O 2.95Å; E50-V52 HydrophobicContact CG-CG2 4.34Å; V52-I54 PolarHBondContact O-N 2.79Å; V52-Q60 HydrophobicContact CG1-CB 4.2Å; V52-Q60 HydrophobicContact CG1-CG 4.12Å; V52-Q60 VanDerWaalsContact CG1-NE2 3.35Å; V52-Q60 VanDerWaalsContact CG1-OE1 3.27Å
53	D	71.5	Confident	76.5	Confident	34 Å²	34	79.7 Å²	79.7	18%	0.182	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	100.1	179.3	-167.9	-16.9	0	0	0	112.1	Q26 T55 M56 Q60	Q26-D53 PolarHBondContact NE2-OD2 3.18Å; D53-T55 VanDerWaalsContact CG-OG1 3.31Å; D53-T55 PolarHBondContact O-N 3.23Å; D53-T55 WeakPolarHBondContact OD1-CA 3.49Å; D53-T55 WeakPolarHBondContact OD1-CB 3.42Å; D53-T55 PolarHBondContact OD1-N 3.28Å; D53-T55 PolarHBondContact OD1-OG1 2.86Å; D53-T55 PolarHBondContact OD2-OG1 3.36Å; D53-M56 HydrophobicContact CB-CB 4.46Å; D53-M56 HydrophobicContact CB-CG 4.2Å; D53-M56 PolarHBondContact O-N 2.96Å; D53-M56 WeakPolarHBondContact OD2-CG 3.39Å; D53-Q60 PolarHBondContact O-OE1 3.22Å
54	I	71	Confident	76.5	Confident	2 Å²	2	74.1 Å²	74.1	1%	0.01	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-4.4	179	73.3	178.1	0	0	0	113.5	C23 I24 K25 V52 Q60 R61 M64 P81	C23-I54 HydrophobicContact CB-CG2 3.85Å; I24-I54 WeakPolarHBondContact O-CG1 3.31Å; I24-I54 PolarHBondContact O-N 2.89Å; K25-I54 HydrophobicContact CD-CD1 4.27Å; K25-I54 HydrophobicContact CD-CG1 4.25Å; K25-I54 HydrophobicContact CG-CD1 3.65Å; K25-I54 HydrophobicContact CG-CG1 3.43Å; K25-I54 VanDerWaalsContact CG-CG1 3.43Å; V52-I54 PolarHBondContact O-N 2.79Å; I54-Q60 HydrophobicContact CG2-CB 4.31Å; I54-R61 HydrophobicContact CB-CB 4.2Å; I54-M64 HydrophobicContact CD1-CE 3.06Å; I54-M64 HydrophobicContact CG1-CE 4.41Å; I54-M64 HydrophobicContact CG2-CE 4.33Å; I54-P81 HydrophobicContact CD1-CG 4.47Å
55	T	67.3	Low	76.3	Confident	59 Å²	59	71.7 Å²	71.7	36%	0.362	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-28	172.4	64.4	0	0	0	0	112.3	K25 D53	K25-T55 HydrophobicContact CB-CG2 3.67Å; K25-T55 HydrophobicContact CD-CG2 3.7Å; K25-T55 HydrophobicContact CG-CG2 3.42Å; K25-T55 VanDerWaalsContact CG-CG2 3.42Å; D53-T55 VanDerWaalsContact CG-OG1 3.31Å; D53-T55 PolarHBondContact O-N 3.23Å; D53-T55 WeakPolarHBondContact OD1-CA 3.49Å; D53-T55 WeakPolarHBondContact OD1-CB 3.42Å; D53-T55 PolarHBondContact OD1-N 3.28Å; D53-T55 PolarHBondContact OD1-OG1 2.86Å; D53-T55 PolarHBondContact OD2-OG1 3.36Å
56	M	66.1	Low	76.5	Confident	139 Å²	139	77.5 Å²	77.5	69%	0.685	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-18.4	-177.2	-62.7	-62.7	167.9	0	0	112.1	D53	D53-M56 HydrophobicContact CB-CB 4.46Å; D53-M56 HydrophobicContact CB-CG 4.2Å; D53-M56 PolarHBondContact O-N 2.96Å; D53-M56 WeakPolarHBondContact OD2-CG 3.39Å
57	S	71.6	Confident	76.7	Confident	36 Å²	36	72.1 Å²	72.1	25%	0.252	34%	0.34	S	S	.	.			trans	-134.3	117.5	175.7	-179.1	0	0	0	0	112.4	E59 Q60 R61	S57-E59 PolarHBondContact O-N 2.8Å; S57-E59 PolarHBondContact OG-N 3.07Å; S57-Q60 PolarHBondContact O-N 3.28Å; S57-Q60 PolarHBondContact OG-N 3.11Å; S57-R61 PolarHBondContact O-N 3.22Å
58	E	75.3	Confident	76.8	Confident	92 Å²	92	71.6 Å²	71.6	43%	0.43	34%	0.337	S	S	.	.	H	α-helix	trans	-59.8	-35.7	172.6	-178.5	59.1	-143.6	0	0	111.7	R61 Q62	E58-R61 VanDerWaalsContact CD-NE 3.34Å; E58-R61 WeakPolarHBondContact O-CB 3.43Å; E58-R61 PolarHBondContact O-N 3.25Å; E58-R61 IonicContact OE1-CZ 3.08Å; E58-R61 IonicContact OE1-NE 2.96Å; E58-R61 PolarHBondContact OE1-NE 2.97Å; E58-R61 IonicContact OE1-NH2 2.65Å; E58-R61 PolarHBondContact OE1-NH2 3.26Å; E58-R61 IonicContact OE2-CZ 2.78Å; E58-R61 IonicContact OE2-NE 3.08Å; E58-R61 PolarHBondContact OE2-NE 2.98Å; E58-R61 VanDerWaalsContact OE2-NE 3.08Å; E58-R61 IonicContact OE2-NH1 3.29Å; E58-R61 PolarHBondContact OE2-NH1 3.3Å; E58-R61 IonicContact OE2-NH2 2.78Å; E58-R61 PolarHBondContact OE2-NH2 3.37Å; E58-Q62 HydrophobicContact CG-CG 4.46Å; E58-Q62 WeakPolarHBondContact O-CG 3.38Å; E58-Q62 PolarHBondContact O-N 3.05Å; E58-Q62 PolarHBondContact OE1-NE2 3.1Å
59	E	78.3	Confident	77.1	Confident	158 Å²	158	64.7 Å²	64.7	74%	0.738	31%	0.307	S	S	*	.	H	α-helix	trans	-63.9	-45.5	-179.4	-173.6	176.9	169.6	0	0	111.4	S57 R61 Q62 W63	S57-E59 PolarHBondContact O-N 2.8Å; S57-E59 PolarHBondContact OG-N 3.07Å; E59-R61 VanDerWaalsContact C-N 3.28Å; E59-R61 PolarHBondContact O-N 2.61Å; E59-Q62 PolarHBondContact O-N 3.34Å; E59-W63 WeakPolarHBondContact O-CB 3.27Å; E59-W63 PolarHBondContact O-N 3.25Å
60	Q	74.3	Confident	77.3	Confident	75 Å²	75	67.1 Å²	67.1	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-64.6	-35.1	176.6	-68.6	-177.3	-33.3	0	0	111.9	V52 D53 I54 S57 W63 M64	V52-Q60 HydrophobicContact CG1-CB 4.2Å; V52-Q60 HydrophobicContact CG1-CG 4.12Å; V52-Q60 VanDerWaalsContact CG1-NE2 3.35Å; V52-Q60 VanDerWaalsContact CG1-OE1 3.27Å; D53-Q60 PolarHBondContact O-OE1 3.22Å; I54-Q60 HydrophobicContact CG2-CB 4.31Å; S57-Q60 PolarHBondContact O-N 3.28Å; S57-Q60 PolarHBondContact OG-N 3.11Å; Q60-W63 PolarHBondContact O-N 3.46Å; Q60-M64 WeakPolarHBondContact O-CB 3.4Å; Q60-M64 PolarHBondContact O-N 3.37Å
61	R	77	Confident	77.6	Confident	79 Å²	79	70.8 Å²	70.8	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-61.3	-49.5	172.8	-172.7	177.6	79.9	172.1	14.9	111.7	I54 S57 E58 E59 W63 M64 Y65	I54-R61 HydrophobicContact CB-CB 4.2Å; S57-R61 PolarHBondContact O-N 3.22Å; E58-R61 VanDerWaalsContact CD-NE 3.34Å; E58-R61 WeakPolarHBondContact O-CB 3.43Å; E58-R61 PolarHBondContact O-N 3.25Å; E58-R61 IonicContact OE1-CZ 3.08Å; E58-R61 IonicContact OE1-NE 2.96Å; E58-R61 PolarHBondContact OE1-NE 2.97Å; E58-R61 IonicContact OE1-NH2 2.65Å; E58-R61 PolarHBondContact OE1-NH2 3.26Å; E58-R61 IonicContact OE2-CZ 2.78Å; E58-R61 IonicContact OE2-NE 3.08Å; E58-R61 PolarHBondContact OE2-NE 2.98Å; E58-R61 VanDerWaalsContact OE2-NE 3.08Å; E58-R61 IonicContact OE2-NH1 3.29Å; E58-R61 PolarHBondContact OE2-NH1 3.3Å; E58-R61 IonicContact OE2-NH2 2.78Å; E58-R61 PolarHBondContact OE2-NH2 3.37Å; E59-R61 VanDerWaalsContact C-N 3.28Å; E59-R61 PolarHBondContact O-N 2.61Å; R61-W63 VanDerWaalsContact C-N 3.34Å; R61-M64 PolarHBondContact O-N 2.8Å; R61-Y65 HydrophobicContact CG-CE1 4.26Å; R61-Y65 HydrophobicContact CG-CE2 3.94Å; R61-Y65 WeakPolarHBondContact O-CD1 3.21Å; R61-Y65 VanDerWaalsContact O-CG 3.31Å; R61-Y65 PolarHBondContact O-N 2.81Å; R61-Y65 VanDerWaalsContact O-N 3.12Å
62	Q	81.8	Confident	78	Confident	79 Å²	79	70 Å²	70	37%	0.369	34%	0.341	S	S	.	.	H	α-helix	trans	-65.5	-39.1	178.1	-67.5	-63.2	-34.9	0	0	111.7	E58 E59 Y65 K66	E58-Q62 HydrophobicContact CG-CG 4.46Å; E58-Q62 WeakPolarHBondContact O-CG 3.38Å; E58-Q62 PolarHBondContact O-N 3.05Å; E58-Q62 PolarHBondContact OE1-NE2 3.1Å; E59-Q62 PolarHBondContact O-N 3.34Å; Q62-Y65 PolarHBondContact O-N 2.82Å; Q62-K66 WeakPolarHBondContact O-CG 3.36Å; Q62-K66 PolarHBondContact O-N 2.93Å
63	W	83.1	Confident	78.3	Confident	76 Å²	76	73.3 Å²	73.3	29%	0.288	35%	0.354	S	S	.	.	H	α-helix	trans	-59.5	-49.1	176.1	-176.7	95.3	0	0	0	110.8	E59 Q60 R61 Y65 K66 N67 F85	E59-W63 WeakPolarHBondContact O-CB 3.27Å; E59-W63 PolarHBondContact O-N 3.25Å; Q60-W63 PolarHBondContact O-N 3.46Å; R61-W63 VanDerWaalsContact C-N 3.34Å; W63-Y65 VanDerWaalsContact C-N 3.29Å; W63-Y65 PolarHBondContact O-N 3.45Å; W63-K66 PolarHBondContact O-N 2.98Å; W63-K66 VanDerWaalsContact O-N 3.14Å; W63-N67 HydrophobicContact CE3-CB 4.47Å; W63-N67 HydrophobicContact CH2-CB 4.23Å; W63-N67 HydrophobicContact CZ2-CB 4.29Å; W63-N67 HydrophobicContact CZ3-CB 4.32Å; W63-N67 PolarHBondContact NE1-ND2 2.92Å; W63-N67 VanDerWaalsContact NE1-ND2 3.17Å; W63-N67 PolarHBondContact O-N 3.14Å; W63-N67 PolarHBondContact O-ND2 3.25Å; W63-F85 AromaticContact CH2-CD1 3.77Å; W63-F85 HydrophobicContact CH2-CD1 3.77Å; W63-F85 HydrophobicContact CH2-CE1 4.04Å; W63-F85 HydrophobicContact CH2-CG 4.04Å; W63-F85 AromaticContact CZ3-CD1 3.97Å; W63-F85 HydrophobicContact CZ3-CD1 3.97Å; W63-F85 HydrophobicContact CZ3-CD2 4.06Å; W63-F85 AromaticContact CZ3-CE1 3.94Å; W63-F85 HydrophobicContact CZ3-CE1 3.94Å; W63-F85 HydrophobicContact CZ3-CE2 4.03Å; W63-F85 HydrophobicContact CZ3-CG 4.04Å; W63-F85 AromaticContact CZ3-CZ 3.97Å; W63-F85 HydrophobicContact CZ3-CZ 3.97Å
64	M	82.6	Confident	78.4	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-59.4	-42.3	176.9	-179.3	-106.7	-76.2	0	0	111.1	C23 I54 Q60 R61 K66 N67 V68 P79 Q83 F85	C23-M64 HydrophobicContact CB-CE 4.22Å; C23-M64 HydrophobicContact CB-CG 4.47Å; I54-M64 HydrophobicContact CD1-CE 3.06Å; I54-M64 HydrophobicContact CG1-CE 4.41Å; I54-M64 HydrophobicContact CG2-CE 4.33Å; Q60-M64 WeakPolarHBondContact O-CB 3.4Å; Q60-M64 PolarHBondContact O-N 3.37Å; R61-M64 PolarHBondContact O-N 2.8Å; M64-K66 VanDerWaalsContact C-N 3.29Å; M64-K66 PolarHBondContact O-N 3.32Å; M64-N67 PolarHBondContact O-N 2.88Å; M64-V68 HydrophobicContact CG-CG2 4.2Å; M64-V68 WeakPolarHBondContact O-CG2 3.36Å; M64-V68 PolarHBondContact O-N 3.48Å; M64-V68 HydrophobicContact SD-CG2 4.22Å; M64-P79 HydrophobicContact SD-CB 4.28Å; M64-P79 HydrophobicContact SD-CG 3.97Å; M64-Q83 HydrophobicContact CE-CG 4.2Å; M64-Q83 HydrophobicContact CG-CB 4.09Å; M64-Q83 HydrophobicContact CG-CG 4.08Å; M64-Q83 HydrophobicContact SD-CB 4.39Å; M64-Q83 HydrophobicContact SD-CG 3.73Å; M64-F85 HydrophobicContact CG-CE2 3.96Å; M64-F85 HydrophobicContact CG-CZ 4.16Å
65	Y	81.8	Confident	78.5	Confident	32 Å²	32	81.5 Å²	81.5	13%	0.125	41%	0.406	C	S	.	.	H	α-helix	trans	-65	-31.4	178.7	-67	-2.3	0	0	0	113.7	R61 Q62 W63 K73 N78 P79	R61-Y65 HydrophobicContact CG-CE1 4.26Å; R61-Y65 HydrophobicContact CG-CE2 3.94Å; R61-Y65 WeakPolarHBondContact O-CD1 3.21Å; R61-Y65 VanDerWaalsContact O-CG 3.31Å; R61-Y65 PolarHBondContact O-N 2.81Å; R61-Y65 VanDerWaalsContact O-N 3.12Å; Q62-Y65 PolarHBondContact O-N 2.82Å; W63-Y65 VanDerWaalsContact C-N 3.29Å; W63-Y65 PolarHBondContact O-N 3.45Å; Y65-K73 VanDerWaalsContact O-CE 3.28Å; Y65-K73 WeakPolarHBondContact O-CE 3.35Å; Y65-K73 PolarHBondContact O-NZ 3.31Å; Y65-N78 HydrophobicContact CE1-CB 4.02Å; Y65-N78 HydrophobicContact CE2-CB 3.8Å; Y65-N78 WeakPolarHBondContact CE2-ND2 3.09Å; Y65-N78 WeakPolarHBondContact OH-CB 3.22Å; Y65-P79 HydrophobicContact CD1-CG 3.52Å; Y65-P79 HydrophobicContact CE1-CG 3.87Å; Y65-P79 WeakPolarHBondContact CE1-O 3.49Å; Y65-P79 HydrophobicContact CG-CG 4.36Å
66	K	84.3	Confident	78.7	Confident	163 Å²	163	87.4 Å²	87.4	71%	0.709	43%	0.429	S	S	*	.	H	α-helix	trans	-77.4	-38.2	176.6	-73.7	177.8	179.7	-179.6	0	112.4	Q62 W63 M64	Q62-K66 WeakPolarHBondContact O-CG 3.36Å; Q62-K66 PolarHBondContact O-N 2.93Å; W63-K66 PolarHBondContact O-N 2.98Å; W63-K66 VanDerWaalsContact O-N 3.14Å; M64-K66 VanDerWaalsContact C-N 3.29Å; M64-K66 PolarHBondContact O-N 3.32Å
67	N	82.8	Confident	79	Confident	55 Å²	55	83.7 Å²	83.7	29%	0.294	43%	0.427	S	S	.	.	H	α-helix	trans	-88.2	-16.6	-175	-69.2	-81.6	0	0	0	113.9	W63 M64 F85	W63-N67 HydrophobicContact CE3-CB 4.47Å; W63-N67 HydrophobicContact CH2-CB 4.23Å; W63-N67 HydrophobicContact CZ2-CB 4.29Å; W63-N67 HydrophobicContact CZ3-CB 4.32Å; W63-N67 PolarHBondContact NE1-ND2 2.92Å; W63-N67 VanDerWaalsContact NE1-ND2 3.17Å; W63-N67 PolarHBondContact O-N 3.14Å; W63-N67 PolarHBondContact O-ND2 3.25Å; M64-N67 PolarHBondContact O-N 2.88Å; N67-F85 HydrophobicContact CB-CE1 3.64Å; N67-F85 HydrophobicContact CB-CZ 4.2Å
68	V	82.3	Confident	79.2	Confident	1 Å²	1	86.5 Å²	86.5	1%	0.006	44%	0.439	C	S	.	.	S	Bend	trans	-67.2	124.2	166.5	173.2	0	0	0	0	108.5	M64 K72 K73 P79 Q83 F85 Y90	M64-V68 HydrophobicContact CG-CG2 4.2Å; M64-V68 WeakPolarHBondContact O-CG2 3.36Å; M64-V68 PolarHBondContact O-N 3.48Å; M64-V68 HydrophobicContact SD-CG2 4.22Å; V68-K72 HydrophobicContact CG1-CB 4.29Å; V68-K73 HydrophobicContact CG1-CG 3.85Å; V68-K73 WeakPolarHBondContact O-CE 3.37Å; V68-P79 HydrophobicContact CB-CG 4.35Å; V68-P79 HydrophobicContact CG1-CB 4.29Å; V68-P79 HydrophobicContact CG1-CG 4.44Å; V68-P79 HydrophobicContact CG2-CB 4.23Å; V68-P79 HydrophobicContact CG2-CG 4.19Å; V68-Q83 HydrophobicContact CG2-CG 4.46Å; V68-F85 HydrophobicContact CG2-CZ 4.04Å; V68-Y90 HydrophobicContact CG2-CD2 4.35Å; V68-Y90 HydrophobicContact CG2-CE2 3.9Å
69	P	83.9	Confident	79.2	Confident	28 Å²	28	82.5 Å²	82.5	18%	0.182	42%	0.421	C	S	.	.			trans	-69.1	148.3	-178.6	27.7	-32.8	0	0	0	111.1	E71 K72 K73 Y90	P69-E71 VanDerWaalsContact C-N 3.26Å; P69-E71 VanDerWaalsContact CB-OE1 3.23Å; P69-E71 WeakPolarHBondContact CB-OE1 3.28Å; P69-E71 PolarHBondContact O-N 3.43Å; P69-K72 HydrophobicContact CG-CB 4Å; P69-K72 HydrophobicContact CG-CG 4.01Å; P69-K72 PolarHBondContact O-N 2.96Å; P69-K73 PolarHBondContact O-N 3.33Å; P69-Y90 HydrophobicContact CG-CD1 3.54Å; P69-Y90 HydrophobicContact CG-CE1 3.85Å; P69-Y90 HydrophobicContact CG-CG 4.34Å
70	P	81.8	Confident	79.2	Confident	101 Å²	101	80.2 Å²	80.2	66%	0.656	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-59.6	-33.8	-172.8	24.3	-33.3	0	0	0	113.1	K72 K73	P70-K72 PolarHBondContact O-N 3.12Å; P70-K73 PolarHBondContact O-N 2.94Å
71	E	84.8	Confident	79.4	Confident	153 Å²	153	76.9 Å²	76.9	72%	0.715	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-66.1	-20.6	175.8	62.9	-89.5	175.4	0	0	114.5	P69	P69-E71 VanDerWaalsContact C-N 3.26Å; P69-E71 VanDerWaalsContact CB-OE1 3.23Å; P69-E71 WeakPolarHBondContact CB-OE1 3.28Å; P69-E71 PolarHBondContact O-N 3.43Å
72	K	81.1	Confident	79.6	Confident	94 Å²	94	73.3 Å²	73.3	41%	0.409	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-102.1	-1.5	178.5	-68.2	-80.1	-174.4	171.1	0	112.4	V68 P69 P70 Y90 S96	V68-K72 HydrophobicContact CG1-CB 4.29Å; P69-K72 HydrophobicContact CG-CB 4Å; P69-K72 HydrophobicContact CG-CG 4.01Å; P69-K72 PolarHBondContact O-N 2.96Å; P70-K72 PolarHBondContact O-N 3.12Å; K72-Y90 HydrophobicContact CB-CE1 3.94Å; K72-Y90 HydrophobicContact CG-CE1 3.91Å; K72-S96 PolarHBondContact NZ-OG 3.38Å; K72-S96 VanDerWaalsContact NZ-OG 3.07Å
73	K	81.1	Confident	79.7	Confident	84 Å²	84	69.9 Å²	69.9	37%	0.365	37%	0.369	S	S	.	.	S	Bend	trans	-72.1	140.5	172.2	-68.2	-177.2	-174.8	-176.4	0	109.2	Y65 V68 P69 P70	Y65-K73 VanDerWaalsContact O-CE 3.28Å; Y65-K73 WeakPolarHBondContact O-CE 3.35Å; Y65-K73 PolarHBondContact O-NZ 3.31Å; V68-K73 HydrophobicContact CG1-CG 3.85Å; V68-K73 WeakPolarHBondContact O-CE 3.37Å; P69-K73 PolarHBondContact O-N 3.33Å; P70-K73 PolarHBondContact O-N 2.94Å
74	P	75.1	Confident	79.8	Confident	57 Å²	57	66.4 Å²	66.4	37%	0.37	36%	0.356	S	S	.	.			trans	-62.5	145.6	176.1	26.3	-33.2	0	0	0	110.6	Q76	P74-Q76 PolarHBondContact O-N 2.86Å; P74-Q76 VanDerWaalsContact O-N 3.1Å
75	T	72.9	Confident	79.8	Confident	151 Å²	151	66.4 Å²	66.4	93%	0.926	36%	0.356	S	S	*	.	S	Bend	trans	-57.5	-26.7	179.1	-40.8	0	0	0	0	112.7
76	Q	71.4	Confident	79.6	Confident	182 Å²	182	66 Å²	66	85%	0.85	36%	0.356	S	S	*	.	S	Bend	trans	-135.7	128.7	173.6	-64.4	-171.5	-79.1	0	0	110.5	P74	P74-Q76 PolarHBondContact O-N 2.86Å; P74-Q76 VanDerWaalsContact O-N 3.1Å
77	G	72.2	Confident	79.2	Confident	61 Å²	61	59.3 Å²	59.3	63%	0.629	33%	0.334	S	S	*	.	S	Bend	trans	89.6	-164.1	175.3	0	0	0	0	0	114.2
78	N	76.1	Confident	78.7	Confident	96 Å²	96	62.3 Å²	62.3	51%	0.513	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-99.1	151.1	-176.2	-62.2	-23.7	0	0	0	110.5	Y65 L80	Y65-N78 HydrophobicContact CE1-CB 4.02Å; Y65-N78 HydrophobicContact CE2-CB 3.8Å; Y65-N78 WeakPolarHBondContact CE2-ND2 3.09Å; Y65-N78 WeakPolarHBondContact OH-CB 3.22Å; N78-L80 PolarHBondContact O-N 2.83Å
79	P	75.8	Confident	78.6	Confident	8 Å²	8	69.7 Å²	69.7	5%	0.052	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-58.6	135.9	174.7	25.2	-32.9	0	0	0	110.5	M64 Y65 V68	M64-P79 HydrophobicContact SD-CB 4.28Å; M64-P79 HydrophobicContact SD-CG 3.97Å; Y65-P79 HydrophobicContact CD1-CG 3.52Å; Y65-P79 HydrophobicContact CE1-CG 3.87Å; Y65-P79 WeakPolarHBondContact CE1-O 3.49Å; Y65-P79 HydrophobicContact CG-CG 4.36Å; V68-P79 HydrophobicContact CB-CG 4.35Å; V68-P79 HydrophobicContact CG1-CB 4.29Å; V68-P79 HydrophobicContact CG1-CG 4.44Å; V68-P79 HydrophobicContact CG2-CB 4.23Å; V68-P79 HydrophobicContact CG2-CG 4.19Å
80	L	77.4	Confident	78.6	Confident	109 Å²	109	70 Å²	70	57%	0.571	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-102.9	144.2	-178.2	-65	177.4	0	0	0	109.9	N78 Q83	N78-L80 PolarHBondContact O-N 2.83Å; L80-Q83 PolarHBondContact O-NE2 2.85Å
81	P	78.8	Confident	78.8	Confident	6 Å²	6	66.1 Å²	66.1	4%	0.039	35%	0.351	C	S	.	.	S	Bend	trans	-67.9	160.2	172.8	32	-38.1	0	0	0	112	C23 K25 I31 I54	C23-P81 WeakPolarHBondContact O-CB 3.49Å; K25-P81 HydrophobicContact CB-CG 3.76Å; K25-P81 HydrophobicContact CG-CG 3.83Å; I31-P81 HydrophobicContact CG2-CG 3.95Å; I54-P81 HydrophobicContact CD1-CG 4.47Å
82	P	80.8	Confident	78.9	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.019	32%	0.317	C	S	.	.	P	Polyproline II helix	cis	-75.5	139.4	0	30.6	-32.7	0	0	0	112.6	I22 C23 K34 Q35 V38 Y94	I22-P82 HydrophobicContact CG2-CB 4.33Å; C23-P82 WeakPolarHBondContact O-CA 3.25Å; K34-P82 HydrophobicContact CB-CG 4.14Å; Q35-P82 HydrophobicContact CG-CB 3.9Å; Q35-P82 HydrophobicContact CG-CG 4.25Å; V38-P82 HydrophobicContact CG2-CG 4.18Å; P82-Y94 HydrophobicContact CG-CD2 4Å; P82-Y94 HydrophobicContact CG-CG 4.35Å; P82-Y94 PolarHBondContact O-N 3.12Å
83	Q	84.5	Confident	79.1	Confident	8 Å²	8	56 Å²	56	4%	0.037	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.8	171.9	-64	-65.4	-30.4	0	0	107.3	C23 M64 V68 L80 F85 Y90	C23-Q83 HydrophobicContact CB-CB 4.18Å; C23-Q83 PolarHBondContact N-O 2.95Å; M64-Q83 HydrophobicContact CE-CG 4.2Å; M64-Q83 HydrophobicContact CG-CB 4.09Å; M64-Q83 HydrophobicContact CG-CG 4.08Å; M64-Q83 HydrophobicContact SD-CB 4.39Å; M64-Q83 HydrophobicContact SD-CG 3.73Å; V68-Q83 HydrophobicContact CG2-CG 4.46Å; L80-Q83 PolarHBondContact O-NE2 2.85Å; Q83-F85 HydrophobicContact CB-CD2 4.44Å; Q83-F85 HydrophobicContact CB-CE2 3.75Å; Q83-Y90 PolarHBondContact OE1-OH 3Å
84	I	84.4	Confident	79.3	Confident	2 Å²	2	54 Å²	54	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.8	-171.8	-57.3	158.9	0	0	0	108	V21 V38 C91 G92 F97 F109 L110	V21-I84 WeakPolarHBondContact O-CA 3.4Å; V38-I84 HydrophobicContact CG1-CD1 3.98Å; V38-I84 HydrophobicContact CG1-CG1 4.32Å; V38-I84 HydrophobicContact CG2-CD1 4.41Å; I84-C91 HydrophobicContact CB-CB 4.45Å; I84-C91 HydrophobicContact CG2-CB 4.11Å; I84-C91 WeakPolarHBondContact O-CB 3.3Å; I84-C91 PolarHBondContact O-N 2.92Å; I84-G92 WeakPolarHBondContact CB-O 3.41Å; I84-G92 PolarHBondContact N-O 3.2Å; I84-G92 PolarHBondContact O-N 2.8Å; I84-F97 HydrophobicContact CD1-CB 3.55Å; I84-F97 HydrophobicContact CD1-CD2 3.66Å; I84-F97 HydrophobicContact CD1-CG 3.76Å; I84-F109 HydrophobicContact CB-CE1 4.32Å; I84-F109 HydrophobicContact CD1-CE1 3.87Å; I84-F109 HydrophobicContact CD1-CZ 4.27Å; I84-F109 HydrophobicContact CG2-CE1 4.2Å; I84-L110 HydrophobicContact CG2-CD2 3.48Å; I84-L110 VanDerWaalsContact CG2-CD2 3.48Å
85	F	83	Confident	79.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.8	174.5	-64.2	-98.6	0	0	0	108.3	N20 V21 W63 M64 N67 V68 Q83 R89 Y90	N20-F85 CarbonylContact C-O 3.52Å; N20-F85 WeakPolarHBondContact CA-O 3.39Å; V21-F85 HydrophobicContact CB-CB 4.18Å; V21-F85 PolarHBondContact N-O 3.09Å; V21-F85 PolarHBondContact O-N 3.46Å; W63-F85 AromaticContact CH2-CD1 3.77Å; W63-F85 HydrophobicContact CH2-CD1 3.77Å; W63-F85 HydrophobicContact CH2-CE1 4.04Å; W63-F85 HydrophobicContact CH2-CG 4.04Å; W63-F85 AromaticContact CZ3-CD1 3.97Å; W63-F85 HydrophobicContact CZ3-CD1 3.97Å; W63-F85 HydrophobicContact CZ3-CD2 4.06Å; W63-F85 AromaticContact CZ3-CE1 3.94Å; W63-F85 HydrophobicContact CZ3-CE1 3.94Å; W63-F85 HydrophobicContact CZ3-CE2 4.03Å; W63-F85 HydrophobicContact CZ3-CG 4.04Å; W63-F85 AromaticContact CZ3-CZ 3.97Å; W63-F85 HydrophobicContact CZ3-CZ 3.97Å; M64-F85 HydrophobicContact CG-CE2 3.96Å; M64-F85 HydrophobicContact CG-CZ 4.16Å; N67-F85 HydrophobicContact CB-CE1 3.64Å; N67-F85 HydrophobicContact CB-CZ 4.2Å; V68-F85 HydrophobicContact CG2-CZ 4.04Å; Q83-F85 HydrophobicContact CB-CD2 4.44Å; Q83-F85 HydrophobicContact CB-CE2 3.75Å; F85-R89 CarbonylContact C-O 3.58Å; F85-R89 VanDerWaalsContact CA-O 3.23Å; F85-R89 WeakPolarHBondContact CA-O 3.49Å; F85-Y90 AromaticContact CD1-CD2 3.93Å; F85-Y90 HydrophobicContact CD1-CD2 3.93Å; F85-Y90 HydrophobicContact CD1-CG 4.48Å; F85-Y90 AromaticContact CE1-CD2 3.44Å; F85-Y90 HydrophobicContact CE1-CD2 3.44Å; F85-Y90 VanDerWaalsContact CE1-CD2 3.44Å; F85-Y90 HydrophobicContact CE1-CE2 4.43Å; F85-Y90 HydrophobicContact CE1-CG 4.09Å; F85-Y90 HydrophobicContact CE2-CD2 4.09Å; F85-Y90 HydrophobicContact CE2-CE2 4.45Å; F85-Y90 HydrophobicContact CG-CD2 4.43Å; F85-Y90 AromaticContact CZ-CD2 3.53Å; F85-Y90 HydrophobicContact CZ-CD2 3.53Å; F85-Y90 HydrophobicContact CZ-CE2 4.11Å
86	N	78.3	Confident	80.6	Confident	24 Å²	24	48.6 Å²	48.6	13%	0.128	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	102.3	162.3	-177.2	-6.7	0	0	0	107.1	E19 N20 D88 R89 C91 L110	E19-N86 VanDerWaalsContact CA-OD1 3.25Å; E19-N86 WeakPolarHBondContact CA-OD1 3.17Å; N20-N86 PolarHBondContact N-OD1 3.01Å; N20-N86 VanDerWaalsContact N-OD1 3.09Å; N20-N86 PolarHBondContact OD1-ND2 3.32Å; N86-D88 PolarHBondContact O-N 3.38Å; N86-R89 PolarHBondContact N-O 3.47Å; N86-R89 WeakPolarHBondContact O-CB 3.47Å; N86-R89 PolarHBondContact O-N 2.92Å; N86-C91 VanDerWaalsContact CB-SG 3.53Å; N86-C91 PolarHBondContact N-SG 3.09Å; N86-C91 VanDerWaalsContact N-SG 3.43Å; N86-L110 WeakPolarHBondContact CB-O 3.37Å; N86-L110 PolarHBondContact ND2-O 3.06Å
87	G	75.3	Confident	81.4	Confident	23 Å²	23	40 Å²	40	24%	0.237	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	-118.2	-168.9	0	0	0	0	0	111.4	W18	W18-G87 WeakPolarHBondContact O-CA 3.43Å; W18-G87 PolarHBondContact O-N 2.98Å; W18-G87 VanDerWaalsContact O-N 3.13Å
88	D	72.7	Confident	82.2	Confident	118 Å²	118	41 Å²	41	63%	0.631	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-12.1	175.9	63.9	-30.9	0	0	0	113.5	N86	N86-D88 PolarHBondContact O-N 3.38Å
89	R	78.9	Confident	82.9	Confident	155 Å²	155	42.3 Å²	42.3	59%	0.585	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.9	-178.2	-176.7	178.3	174.7	-176.5	-2.6	111	F85 N86 C91	F85-R89 CarbonylContact C-O 3.58Å; F85-R89 VanDerWaalsContact CA-O 3.23Å; F85-R89 WeakPolarHBondContact CA-O 3.49Å; N86-R89 PolarHBondContact N-O 3.47Å; N86-R89 WeakPolarHBondContact O-CB 3.47Å; N86-R89 PolarHBondContact O-N 2.92Å; R89-C91 PolarHBondContact O-N 2.9Å
90	Y	84.2	Confident	83.5	Confident	34 Å²	34	42.6 Å²	42.6	13%	0.133	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	117.9	166.5	-177.4	-109.9	0	0	0	110.7	V68 P69 K72 Q83 F85 G92 D93	V68-Y90 HydrophobicContact CG2-CD2 4.35Å; V68-Y90 HydrophobicContact CG2-CE2 3.9Å; P69-Y90 HydrophobicContact CG-CD1 3.54Å; P69-Y90 HydrophobicContact CG-CE1 3.85Å; P69-Y90 HydrophobicContact CG-CG 4.34Å; K72-Y90 HydrophobicContact CB-CE1 3.94Å; K72-Y90 HydrophobicContact CG-CE1 3.91Å; Q83-Y90 PolarHBondContact OE1-OH 3Å; F85-Y90 AromaticContact CD1-CD2 3.93Å; F85-Y90 HydrophobicContact CD1-CD2 3.93Å; F85-Y90 HydrophobicContact CD1-CG 4.48Å; F85-Y90 AromaticContact CE1-CD2 3.44Å; F85-Y90 HydrophobicContact CE1-CD2 3.44Å; F85-Y90 VanDerWaalsContact CE1-CD2 3.44Å; F85-Y90 HydrophobicContact CE1-CE2 4.43Å; F85-Y90 HydrophobicContact CE1-CG 4.09Å; F85-Y90 HydrophobicContact CE2-CD2 4.09Å; F85-Y90 HydrophobicContact CE2-CE2 4.45Å; F85-Y90 HydrophobicContact CG-CD2 4.43Å; F85-Y90 AromaticContact CZ-CD2 3.53Å; F85-Y90 HydrophobicContact CZ-CD2 3.53Å; F85-Y90 HydrophobicContact CZ-CE2 4.11Å; Y90-G92 VanDerWaalsContact CZ-CA 3.47Å; Y90-D93 PolarHBondContact OH-N 3.19Å
91	C	85.8	Confident	84	Confident	21 Å²	21	40.2 Å²	40.2	14%	0.142	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-47.7	175.8	-63	0	0	0	0	110.1	I84 N86 R89 F109	I84-C91 HydrophobicContact CB-CB 4.45Å; I84-C91 HydrophobicContact CG2-CB 4.11Å; I84-C91 WeakPolarHBondContact O-CB 3.3Å; I84-C91 PolarHBondContact O-N 2.92Å; N86-C91 VanDerWaalsContact CB-SG 3.53Å; N86-C91 PolarHBondContact N-SG 3.09Å; N86-C91 VanDerWaalsContact N-SG 3.43Å; R89-C91 PolarHBondContact O-N 2.9Å; C91-F109 VanDerWaalsContact C-CE2 3.47Å; C91-F109 HydrophobicContact CB-CD1 4.35Å; C91-F109 HydrophobicContact CB-CE1 3.9Å; C91-F109 HydrophobicContact CB-CE2 4.33Å; C91-F109 HydrophobicContact CB-CZ 3.9Å; C91-F109 WeakPolarHBondContact CB-O 3.49Å; C91-F109 WeakPolarHBondContact O-CE2 3.33Å
92	G	86.4	Confident	84.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.1	-178.5	178.8	0	0	0	0	0	113.7	I84 Y90	I84-G92 WeakPolarHBondContact CB-O 3.41Å; I84-G92 PolarHBondContact N-O 3.2Å; I84-G92 PolarHBondContact O-N 2.8Å; Y90-G92 VanDerWaalsContact CZ-CA 3.47Å
93	D	85.8	Confident	84.9	Confident	34 Å²	34	50.2 Å²	50.2	18%	0.182	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-176.6	174.3	63	-26	0	0	0	111.2	Y90 D95 S96 F97	Y90-D93 PolarHBondContact OH-N 3.19Å; D93-D95 VanDerWaalsContact C-N 3.29Å; D93-D95 PolarHBondContact O-N 3.24Å; D93-S96 PolarHBondContact O-N 3.05Å; D93-S96 VanDerWaalsContact OD1-CB 3.31Å; D93-S96 WeakPolarHBondContact OD1-CB 3.38Å; D93-S96 PolarHBondContact OD1-N 3.35Å; D93-S96 PolarHBondContact OD1-OG 3.5Å; D93-F97 PolarHBondContact O-N 2.92Å
94	Y	84.8	Confident	84.9	Confident	41 Å²	41	56.8 Å²	56.8	16%	0.161	29%	0.287	C	S	.	.	H	α-helix	trans	-54.5	-43.1	177.4	-179.1	-98.2	0	0	0	113.3	K34 D37 V38 P82 F97 F98	K34-Y94 HydrophobicContact CB-CD2 3.52Å; K34-Y94 HydrophobicContact CB-CE2 3.66Å; K34-Y94 HydrophobicContact CB-CG 3.96Å; K34-Y94 HydrophobicContact CD-CD1 3.55Å; K34-Y94 HydrophobicContact CD-CD2 4.09Å; K34-Y94 HydrophobicContact CD-CE1 3.93Å; K34-Y94 HydrophobicContact CD-CE2 4.41Å; K34-Y94 HydrophobicContact CD-CG 3.62Å; K34-Y94 HydrophobicContact CG-CD1 3.94Å; K34-Y94 HydrophobicContact CG-CD2 3.82Å; K34-Y94 HydrophobicContact CG-CE1 3.89Å; K34-Y94 HydrophobicContact CG-CE2 3.76Å; K34-Y94 HydrophobicContact CG-CG 3.89Å; D37-Y94 HydrophobicContact CB-CE2 4.46Å; V38-Y94 HydrophobicContact CG2-CD2 4.01Å; V38-Y94 HydrophobicContact CG2-CE2 4.4Å; P82-Y94 HydrophobicContact CG-CD2 4Å; P82-Y94 HydrophobicContact CG-CG 4.35Å; P82-Y94 PolarHBondContact O-N 3.12Å; Y94-F97 WeakPolarHBondContact O-CB 3.38Å; Y94-F97 PolarHBondContact O-N 3.23Å; Y94-F98 HydrophobicContact CE1-CB 4.29Å; Y94-F98 WeakPolarHBondContact O-CB 3.48Å; Y94-F98 PolarHBondContact O-N 2.83Å
95	D	88.3	Confident	85	Confident	85 Å²	85	59.7 Å²	59.7	46%	0.455	31%	0.305	S	S	.	.	H	α-helix	trans	-68.1	-44	-174.5	-63.3	-24.4	0	0	0	109.8	K34 D93 F97 F98 E99	K34-D95 IonicContact NZ-OD1 2.96Å; D93-D95 VanDerWaalsContact C-N 3.29Å; D93-D95 PolarHBondContact O-N 3.24Å; D95-F97 VanDerWaalsContact C-N 3.3Å; D95-F97 PolarHBondContact O-N 3.39Å; D95-F98 WeakPolarHBondContact O-CB 3.33Å; D95-F98 PolarHBondContact O-N 2.77Å; D95-F98 VanDerWaalsContact O-N 3.12Å; D95-E99 WeakPolarHBondContact O-CG 3.24Å; D95-E99 PolarHBondContact O-N 2.96Å
96	S	88.4	Confident	85.2	Confident	11 Å²	11	59.8 Å²	59.8	8%	0.077	31%	0.306	C	S	.	.	H	α-helix	trans	-60.9	-37.4	173.7	-52.4	0	0	0	0	112.6	K72 D93 S100	K72-S96 PolarHBondContact NZ-OG 3.38Å; K72-S96 VanDerWaalsContact NZ-OG 3.07Å; D93-S96 PolarHBondContact O-N 3.05Å; D93-S96 VanDerWaalsContact OD1-CB 3.31Å; D93-S96 WeakPolarHBondContact OD1-CB 3.38Å; D93-S96 PolarHBondContact OD1-N 3.35Å; D93-S96 PolarHBondContact OD1-OG 3.5Å; S96-S100 WeakPolarHBondContact O-CB 3.34Å; S96-S100 PolarHBondContact O-N 2.85Å; S96-S100 VanDerWaalsContact O-N 3.11Å; S96-S100 PolarHBondContact O-OG 3.26Å
97	F	87.8	Confident	85.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.6	-42.4	173.8	172.5	-93.8	0	0	0	112.2	V38 F41 I84 D93 Y94 D95 S100 K101 V106 F109	V38-F97 HydrophobicContact CB-CE1 4.25Å; V38-F97 HydrophobicContact CB-CZ 4.36Å; V38-F97 HydrophobicContact CG1-CD2 4.49Å; V38-F97 HydrophobicContact CG1-CE1 4.45Å; V38-F97 HydrophobicContact CG1-CE2 4.18Å; V38-F97 HydrophobicContact CG1-CZ 4.16Å; V38-F97 HydrophobicContact CG2-CD1 3.72Å; V38-F97 HydrophobicContact CG2-CE1 3.77Å; V38-F97 HydrophobicContact CG2-CG 4.22Å; V38-F97 HydrophobicContact CG2-CZ 4.3Å; F41-F97 HydrophobicContact CB-CE1 4.49Å; F41-F97 HydrophobicContact CB-CZ 3.82Å; F41-F97 AromaticContact CD1-CE2 3.97Å; F41-F97 HydrophobicContact CD1-CE2 3.97Å; F41-F97 AromaticContact CD1-CZ 3.6Å; F41-F97 HydrophobicContact CD1-CZ 3.6Å; F41-F97 HydrophobicContact CE1-CE2 4.46Å; F41-F97 HydrophobicContact CE1-CZ 4.36Å; F41-F97 AromaticContact CG-CZ 3.74Å; F41-F97 HydrophobicContact CG-CZ 3.74Å; I84-F97 HydrophobicContact CD1-CB 3.55Å; I84-F97 HydrophobicContact CD1-CD2 3.66Å; I84-F97 HydrophobicContact CD1-CG 3.76Å; D93-F97 PolarHBondContact O-N 2.92Å; Y94-F97 WeakPolarHBondContact O-CB 3.38Å; Y94-F97 PolarHBondContact O-N 3.23Å; D95-F97 VanDerWaalsContact C-N 3.3Å; D95-F97 PolarHBondContact O-N 3.39Å; F97-S100 CarbonylContact O-C 3.53Å; F97-S100 WeakPolarHBondContact O-CB 3.37Å; F97-S100 PolarHBondContact O-N 3.37Å; F97-K101 HydrophobicContact CE1-CD 4.25Å; F97-K101 WeakPolarHBondContact O-CB 3.5Å; F97-K101 PolarHBondContact O-N 3.41Å; F97-V106 HydrophobicContact CD2-CG1 3.98Å; F97-V106 HydrophobicContact CE2-CG1 3.54Å; F97-V106 HydrophobicContact CZ-CG1 4.43Å; F97-F109 HydrophobicContact CB-CE1 4Å; F97-F109 HydrophobicContact CB-CZ 4.14Å; F97-F109 HydrophobicContact CD2-CD1 4.31Å; F97-F109 HydrophobicContact CD2-CE1 4.06Å
98	F	88.7	Confident	86	Confident	83 Å²	83	63.2 Å²	63.2	36%	0.364	32%	0.322	S	S	.	.	H	α-helix	trans	-63.7	-45	178.6	-177.2	-95.4	0	0	0	111.5	Y94 D95 S100 K101 E102	Y94-F98 HydrophobicContact CE1-CB 4.29Å; Y94-F98 WeakPolarHBondContact O-CB 3.48Å; Y94-F98 PolarHBondContact O-N 2.83Å; D95-F98 WeakPolarHBondContact O-CB 3.33Å; D95-F98 PolarHBondContact O-N 2.77Å; D95-F98 VanDerWaalsContact O-N 3.12Å; F98-S100 VanDerWaalsContact C-N 3.28Å; F98-S100 PolarHBondContact O-N 3.42Å; F98-K101 WeakPolarHBondContact O-CB 3.36Å; F98-K101 PolarHBondContact O-N 2.81Å; F98-K101 VanDerWaalsContact O-N 3.1Å; F98-E102 HydrophobicContact CD1-CG 4.19Å; F98-E102 HydrophobicContact CE1-CG 3.76Å; F98-E102 HydrophobicContact CZ-CG 4Å; F98-E102 WeakPolarHBondContact O-CG 3.41Å; F98-E102 PolarHBondContact O-N 3.1Å
99	E	90.9	Very high	86.6	Confident	123 Å²	123	58.9 Å²	58.9	58%	0.575	30%	0.298	S	S	*	.	H	α-helix	trans	-58.7	-41	173.3	-70.1	179.6	95.2	0	0	111.8	D95 K101 E102 S103	D95-E99 WeakPolarHBondContact O-CG 3.24Å; D95-E99 PolarHBondContact O-N 2.96Å; E99-K101 VanDerWaalsContact C-N 3.33Å; E99-E102 PolarHBondContact O-N 3.39Å; E99-S103 VanDerWaalsContact O-CB 3.31Å; E99-S103 WeakPolarHBondContact O-CB 3.08Å; E99-S103 PolarHBondContact O-N 2.97Å; E99-S103 PolarHBondContact O-OG 3.18Å
100	S	88.8	Confident	86.8	Confident	15 Å²	15	51.6 Å²	51.6	11%	0.105	27%	0.27	C	S	.	.	H	α-helix	trans	-68.4	-33.5	176.6	-58.3	0	0	0	0	112.3	S96 F97 F98 S103 N104 T105 V106 F109	S96-S100 WeakPolarHBondContact O-CB 3.34Å; S96-S100 PolarHBondContact O-N 2.85Å; S96-S100 VanDerWaalsContact O-N 3.11Å; S96-S100 PolarHBondContact O-OG 3.26Å; F97-S100 CarbonylContact O-C 3.53Å; F97-S100 WeakPolarHBondContact O-CB 3.37Å; F97-S100 PolarHBondContact O-N 3.37Å; F98-S100 VanDerWaalsContact C-N 3.28Å; F98-S100 PolarHBondContact O-N 3.42Å; S100-S103 CarbonylContact O-C 3.47Å; S100-S103 PolarHBondContact O-N 3.34Å; S100-N104 CarbonylContact O-C 3.6Å; S100-N104 PolarHBondContact O-N 2.95Å; S100-T105 WeakPolarHBondContact CA-OG1 3.46Å; S100-T105 PolarHBondContact O-N 3.33Å; S100-T105 PolarHBondContact O-OG1 2.79Å; S100-V106 VanDerWaalsContact C-CG2 3.44Å; S100-V106 WeakPolarHBondContact O-CG2 3.37Å; S100-V106 PolarHBondContact O-N 2.88Å; S100-F109 WeakPolarHBondContact OG-CB 3.15Å; S100-F109 WeakPolarHBondContact OG-CD2 3.45Å; S100-F109 WeakPolarHBondContact OG-CG 3.49Å
101	K	86.8	Confident	86.6	Confident	59 Å²	59	51.8 Å²	51.8	26%	0.257	28%	0.283	S	S	.	.	H	α-helix	trans	-67	-46.7	174.8	-173.8	-176.4	-179.3	-176.6	0	110.9	D37 F41 F97 F98 E99 S103 N104 V106	D37-K101 VanDerWaalsContact CG-NZ 3.25Å; D37-K101 IonicContact OD1-NZ 3.55Å; D37-K101 PolarHBondContact OD1-NZ 3.32Å; D37-K101 IonicContact OD2-NZ 2.77Å; D37-K101 PolarHBondContact OD2-NZ 2.81Å; F41-K101 HydrophobicContact CD2-CD 4.13Å; F41-K101 HydrophobicContact CD2-CG 4.13Å; F41-K101 HydrophobicContact CE2-CD 4.41Å; F41-K101 HydrophobicContact CE2-CG 3.9Å; F97-K101 HydrophobicContact CE1-CD 4.25Å; F97-K101 WeakPolarHBondContact O-CB 3.5Å; F97-K101 PolarHBondContact O-N 3.41Å; F98-K101 WeakPolarHBondContact O-CB 3.36Å; F98-K101 PolarHBondContact O-N 2.81Å; F98-K101 VanDerWaalsContact O-N 3.1Å; E99-K101 VanDerWaalsContact C-N 3.33Å; K101-S103 VanDerWaalsContact C-N 3.29Å; K101-S103 PolarHBondContact O-N 3.2Å; K101-N104 PolarHBondContact O-N 2.9Å; K101-V106 HydrophobicContact CB-CG2 3.88Å; K101-V106 VanDerWaalsContact N-CG2 3.32Å
102	E	90.3	Very high	86.2	Confident	139 Å²	139	52.3 Å²	52.3	65%	0.65	28%	0.284	S	S	*	.	H	α-helix	trans	-61.1	-39.7	174.5	-67.1	-113.5	95.6	0	0	111.5	F98 E99 N104	F98-E102 HydrophobicContact CD1-CG 4.19Å; F98-E102 HydrophobicContact CE1-CG 3.76Å; F98-E102 HydrophobicContact CZ-CG 4Å; F98-E102 WeakPolarHBondContact O-CG 3.41Å; F98-E102 PolarHBondContact O-N 3.1Å; E99-E102 PolarHBondContact O-N 3.39Å; E102-N104 VanDerWaalsContact C-N 3.28Å; E102-N104 PolarHBondContact O-N 3.4Å; E102-N104 PolarHBondContact O-ND2 2.97Å
103	S	88.6	Confident	85.5	Confident	80 Å²	80	61.5 Å²	61.5	56%	0.559	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.9	179.4	-56.2	0	0	0	0	114.1	E99 S100 K101 T105	E99-S103 VanDerWaalsContact O-CB 3.31Å; E99-S103 WeakPolarHBondContact O-CB 3.08Å; E99-S103 PolarHBondContact O-N 2.97Å; E99-S103 PolarHBondContact O-OG 3.18Å; S100-S103 CarbonylContact O-C 3.47Å; S100-S103 PolarHBondContact O-N 3.34Å; K101-S103 VanDerWaalsContact C-N 3.29Å; K101-S103 PolarHBondContact O-N 3.2Å; S103-T105 PolarHBondContact O-N 2.97Å
104	N	85.4	Confident	84.3	Confident	146 Å²	146	63.5 Å²	63.5	78%	0.781	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	27.6	-172.4	-69.5	-92.1	0	0	0	114.2	S100 K101 E102	S100-N104 CarbonylContact O-C 3.6Å; S100-N104 PolarHBondContact O-N 2.95Å; K101-N104 PolarHBondContact O-N 2.9Å; E102-N104 VanDerWaalsContact C-N 3.28Å; E102-N104 PolarHBondContact O-N 3.4Å; E102-N104 PolarHBondContact O-ND2 2.97Å
105	T	86.3	Confident	82.8	Confident	63 Å²	63	69.1 Å²	69.1	39%	0.387	36%	0.36	S	S	.	.			trans	-106.4	15.3	-179.7	54.1	0	0	0	0	113.1	S100 S103 F107 S108 F109	S100-T105 WeakPolarHBondContact CA-OG1 3.46Å; S100-T105 PolarHBondContact O-N 3.33Å; S100-T105 PolarHBondContact O-OG1 2.79Å; S103-T105 PolarHBondContact O-N 2.97Å; T105-F107 VanDerWaalsContact C-N 3.27Å; T105-F107 PolarHBondContact O-N 2.65Å; T105-S108 WeakPolarHBondContact O-CB 3.42Å; T105-S108 PolarHBondContact O-N 2.96Å; T105-F109 PolarHBondContact O-N 2.78Å
106	V	86.6	Confident	80.9	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.012	38%	0.377	C	S	.	.	H	α-helix	trans	-56.5	-38.7	-176.8	-176.1	0	0	0	0	112.6	F41 F97 S100 K101 S108 F109 L110	F41-V106 HydrophobicContact CD1-CG1 4.14Å; F41-V106 HydrophobicContact CE1-CB 3.71Å; F41-V106 HydrophobicContact CE1-CG1 3.45Å; F41-V106 VanDerWaalsContact CE1-CG1 3.45Å; F41-V106 HydrophobicContact CE1-CG2 3.85Å; F41-V106 HydrophobicContact CZ-CB 3.9Å; F41-V106 HydrophobicContact CZ-CG1 4.15Å; F41-V106 HydrophobicContact CZ-CG2 3.69Å; F97-V106 HydrophobicContact CD2-CG1 3.98Å; F97-V106 HydrophobicContact CE2-CG1 3.54Å; F97-V106 HydrophobicContact CZ-CG1 4.43Å; S100-V106 VanDerWaalsContact C-CG2 3.44Å; S100-V106 WeakPolarHBondContact O-CG2 3.37Å; S100-V106 PolarHBondContact O-N 2.88Å; K101-V106 HydrophobicContact CB-CG2 3.88Å; K101-V106 VanDerWaalsContact N-CG2 3.32Å; V106-S108 VanDerWaalsContact C-N 3.35Å; V106-S108 PolarHBondContact O-N 3.29Å; V106-F109 WeakPolarHBondContact O-CB 3.23Å; V106-F109 PolarHBondContact O-N 3.22Å; V106-L110 HydrophobicContact CG1-CD1 3.83Å; V106-L110 HydrophobicContact CG1-CG 4.09Å; V106-L110 WeakPolarHBondContact O-CB 3.45Å; V106-L110 VanDerWaalsContact O-CG 3.27Å; V106-L110 WeakPolarHBondContact O-CG 2.94Å; V106-L110 PolarHBondContact O-N 3.21Å
107	F	84.2	Confident	78.9	Confident	44 Å²	44	76.2 Å²	76.2	19%	0.193	41%	0.409	C	S	.	.	H	α-helix	trans	-58.9	-47.6	176.2	-68.4	-86.7	0	0	0	111.4	N45 I47 T105 F109 L110 G111 L112 P114	N45-F107 HydrophobicContact CB-CZ 4.08Å; I47-F107 HydrophobicContact CD1-CD1 4.2Å; I47-F107 HydrophobicContact CD1-CE1 3.72Å; I47-F107 HydrophobicContact CD1-CZ 4.1Å; I47-F107 HydrophobicContact CG1-CE1 3.9Å; T105-F107 VanDerWaalsContact C-N 3.27Å; T105-F107 PolarHBondContact O-N 2.65Å; F107-F109 PolarHBondContact O-N 3.26Å; F107-L110 CarbonylContact O-C 3.51Å; F107-L110 PolarHBondContact O-N 2.85Å; F107-G111 PolarHBondContact O-N 3.04Å; F107-G111 VanDerWaalsContact O-N 3.17Å; F107-L112 CarbonylContact C-O 3.44Å; F107-L112 HydrophobicContact CD1-CB 4.48Å; F107-L112 WeakPolarHBondContact O-CA 3.42Å; F107-L112 PolarHBondContact O-N 2.58Å; F107-L112 VanDerWaalsContact O-O 3.09Å; F107-P114 HydrophobicContact CB-CB 4.42Å
108	S	85.9	Confident	76.8	Confident	74 Å²	74	81.9 Å²	81.9	52%	0.517	45%	0.448	S	S	.	.	H	α-helix	trans	-64.7	-38.4	176	-54.2	0	0	0	0	112.4	T105 V106 L110 G111	T105-S108 WeakPolarHBondContact O-CB 3.42Å; T105-S108 PolarHBondContact O-N 2.96Å; V106-S108 VanDerWaalsContact C-N 3.35Å; V106-S108 PolarHBondContact O-N 3.29Å; S108-L110 VanDerWaalsContact C-N 3.34Å; S108-G111 PolarHBondContact O-N 3.08Å
109	F	86.3	Confident	74.6	Confident	28 Å²	28	87 Å²	87	12%	0.123	47%	0.471	C	S	.	.	H	α-helix	trans	-60.5	-43.9	175.1	166.8	-95	0	0	0	111.8	I84 C91 F97 S100 T105 V106 F107 G111	I84-F109 HydrophobicContact CB-CE1 4.32Å; I84-F109 HydrophobicContact CD1-CE1 3.87Å; I84-F109 HydrophobicContact CD1-CZ 4.27Å; I84-F109 HydrophobicContact CG2-CE1 4.2Å; C91-F109 VanDerWaalsContact C-CE2 3.47Å; C91-F109 HydrophobicContact CB-CD1 4.35Å; C91-F109 HydrophobicContact CB-CE1 3.9Å; C91-F109 HydrophobicContact CB-CE2 4.33Å; C91-F109 HydrophobicContact CB-CZ 3.9Å; C91-F109 WeakPolarHBondContact CB-O 3.49Å; C91-F109 WeakPolarHBondContact O-CE2 3.33Å; F97-F109 HydrophobicContact CB-CE1 4Å; F97-F109 HydrophobicContact CB-CZ 4.14Å; F97-F109 HydrophobicContact CD2-CD1 4.31Å; F97-F109 HydrophobicContact CD2-CE1 4.06Å; S100-F109 WeakPolarHBondContact OG-CB 3.15Å; S100-F109 WeakPolarHBondContact OG-CD2 3.45Å; S100-F109 WeakPolarHBondContact OG-CG 3.49Å; T105-F109 PolarHBondContact O-N 2.78Å; V106-F109 WeakPolarHBondContact O-CB 3.23Å; V106-F109 PolarHBondContact O-N 3.22Å; F107-F109 PolarHBondContact O-N 3.26Å; F109-G111 PolarHBondContact O-N 3.35Å
110	L	82.6	Confident	72.5	Confident	1 Å²	1	85.4 Å²	85.4	1%	0.005	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-4.7	174	-63.7	172.4	0	0	0	112.3	L42 I47 I84 N86 V106 F107 S108 L112	L42-L110 HydrophobicContact CD2-CD1 3.51Å; I47-L110 HydrophobicContact CD1-CD1 3.92Å; I47-L110 HydrophobicContact CG2-CD1 4.27Å; I84-L110 HydrophobicContact CG2-CD2 3.48Å; I84-L110 VanDerWaalsContact CG2-CD2 3.48Å; N86-L110 WeakPolarHBondContact CB-O 3.37Å; N86-L110 PolarHBondContact ND2-O 3.06Å; V106-L110 HydrophobicContact CG1-CD1 3.83Å; V106-L110 HydrophobicContact CG1-CG 4.09Å; V106-L110 WeakPolarHBondContact O-CB 3.45Å; V106-L110 VanDerWaalsContact O-CG 3.27Å; V106-L110 WeakPolarHBondContact O-CG 2.94Å; V106-L110 PolarHBondContact O-N 3.21Å; F107-L110 CarbonylContact O-C 3.51Å; F107-L110 PolarHBondContact O-N 2.85Å; S108-L110 VanDerWaalsContact C-N 3.34Å; L110-L112 HydrophobicContact CB-CD1 3.94Å; L110-L112 HydrophobicContact CB-CG 3.84Å; L110-L112 HydrophobicContact CD1-CD1 3.96Å; L110-L112 PolarHBondContact O-N 3.02Å
111	G	79.6	Confident	70.2	Confident	39 Å²	39	93.5 Å²	93.5	40%	0.402	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	13.3	-174.1	0	0	0	0	0	113.7	F107 S108 F109	F107-G111 PolarHBondContact O-N 3.04Å; F107-G111 VanDerWaalsContact O-N 3.17Å; S108-G111 PolarHBondContact O-N 3.08Å; F109-G111 PolarHBondContact O-N 3.35Å
112	L	77.8	Confident	68.7	Low	31 Å²	31	100.1 Å²	100.1	16%	0.162	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-82.8	144	175.8	-59.3	175.8	0	0	0	109.6	I47 F107 L110 P114	I47-L112 HydrophobicContact CD1-CD1 4.42Å; I47-L112 HydrophobicContact CG1-CD1 4.28Å; I47-L112 HydrophobicContact CG2-CD1 3.51Å; F107-L112 CarbonylContact C-O 3.44Å; F107-L112 HydrophobicContact CD1-CB 4.48Å; F107-L112 WeakPolarHBondContact O-CA 3.42Å; F107-L112 PolarHBondContact O-N 2.58Å; F107-L112 VanDerWaalsContact O-O 3.09Å; L110-L112 HydrophobicContact CB-CD1 3.94Å; L110-L112 HydrophobicContact CB-CG 3.84Å; L110-L112 HydrophobicContact CD1-CD1 3.96Å; L110-L112 PolarHBondContact O-N 3.02Å; L112-P114 WeakPolarHBondContact O-CD 3.36Å
113	K	71.4	Confident	67.7	Low	193 Å²	193	98.2 Å²	98.2	84%	0.839	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-61.3	126.1	167.8	-68.3	178.5	-177.2	170	0	106.9	R115	K113-R115 PolarHBondContact O-N 3.1Å; K113-R115 VanDerWaalsContact O-N 3.09Å
114	P	60	Low	66.6	Low	77 Å²	77	99.2 Å²	99.2	50%	0.5	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-53.3	127.5	169.9	21.8	-30.3	0	0	0	106.2	F107 L112 L116	F107-P114 HydrophobicContact CB-CB 4.42Å; L112-P114 WeakPolarHBondContact O-CD 3.36Å; P114-L116 PolarHBondContact O-N 3.16Å
115	R	53.2	Low	65.5	Low	159 Å²	159	96.6 Å²	96.6	60%	0.6	55%	0.547	S	S	*	.			trans	-58.2	102.6	165.6	-78.7	-152.3	-72.7	-113.7	-5.6	104.1	N45 K113 A117	N45-R115 PolarHBondContact O-NH2 3.4Å; K113-R115 PolarHBondContact O-N 3.1Å; K113-R115 VanDerWaalsContact O-N 3.09Å; R115-A117 PolarHBondContact O-N 3.21Å
116	L	49.5	Very low	64.3	Low	154 Å²	154	98.5 Å²	98.5	81%	0.806	56%	0.556	S	S	*	*			trans	-48.7	106	162.2	-76.1	164.6	0	0	0	102.6	P114 S118	P114-L116 PolarHBondContact O-N 3.16Å; L116-S118 VanDerWaalsContact C-N 3.28Å; L116-S118 PolarHBondContact O-N 3.33Å
117	A	45.6	Very low	62.9	Low	91 Å²	91	104.6 Å²	104.6	75%	0.752	59%	0.59	S	S	*	*			trans	-49.4	109.8	170.7	0	0	0	0	0	103.3	R115 K119	R115-A117 PolarHBondContact O-N 3.21Å; A117-K119 VanDerWaalsContact C-N 3.29Å; A117-K119 PolarHBondContact O-N 3.28Å
118	S	45.3	Very low	61.5	Low	118 Å²	118	108.6 Å²	108.6	83%	0.825	62%	0.617	S	S	*	*			trans	-48.6	105.8	-173.6	-56.4	0	0	0	0	105.2	L116 A120	L116-S118 VanDerWaalsContact C-N 3.28Å; L116-S118 PolarHBondContact O-N 3.33Å; S118-A120 PolarHBondContact O-N 3.06Å
119	K	41.3	Very low	59.7	Low	192 Å²	192	111.1 Å²	111.1	84%	0.835	62%	0.624	S	S	*	*			trans	-55	120.4	179.8	-175.4	179.5	167.3	-168.9	0	103.4	A117 E121	A117-K119 VanDerWaalsContact C-N 3.29Å; A117-K119 PolarHBondContact O-N 3.28Å; K119-E121 PolarHBondContact O-N 3.04Å
120	A	47.3	Very low	57.7	Low	89 Å²	89	117.5 Å²	117.5	74%	0.736	66%	0.663	S	S	*	*			trans	-40.1	111.9	171.5	0	0	0	0	0	107.7	S118	S118-A120 PolarHBondContact O-N 3.06Å
121	E	40.1	Very low	55.6	Low	185 Å²	185	127.2 Å²	127.2	86%	0.864	72%	0.717	S	S	*	*			trans	-79.3	125.1	161.7	-75.4	-162.2	87.7	0	0	105.8	K119	K119-E121 PolarHBondContact O-N 3.04Å
122	P	56.3	Low	53.4	Low	198 Å²	198	135.2 Å²	135.2	100%	1.286	75%	0.746	S	S	*	*			trans	-67.8	0	-176.2	28.3	-34.6	0	0	0	113.5

Retrieved 122 of 122 residues in 126.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).